68196536 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 8 9 10 10 10 11 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 24 25 26 26 27 27 28 28 29 29 30 8 9 5 6 7 7 11 7 12 8 13 9 14 15 16 11 12 18 17 21 19 31 20 32 22 33 23 34 26 27 24 35 22 36 23 37 25 38 39 40 25 41 42 28 43 29 44 30 45 30 46 47 1 1 1 1 1 1 2 2 1 1 2 1 2 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 5.4641 5.4641 4.5981 6.3301 6.3301 4.5981 5.4641 6.3301 4.5981 5.4641 4.5981 6.3301 7.2241 3.7041 7.2241 3.7041 3.732 5.448 8.1301 2.7981 7.2401 8.1301 2.7981 6.3461 7.2482 3.732 2.866 2.866 2 2 7.2169 3.7113 7.2169 3.7113 4.9076 8.6659 2.2623 7.7734 8.6659 2.2623 6.3437 7.7863 4.269 2.866 2.866 1.4631 1.4631 -3.2673 -1.2673 0.2327 0.2327 -1.7673 -1.7673 -0.2673 -2.7673 -2.7673 1.7327 1.2327 1.2327 -1.2326 -1.2326 -3.302 -3.302 1.7327 2.7742 -1.7465 -1.7465 1.7396 -2.7881 -2.7881 3.302 2.7811 2.7327 1.2327 3.2327 1.7327 2.7327 -0.6127 -0.6127 -3.9219 -3.9219 3.078 -1.4344 -1.4344 1.4234 -3.1002 -3.1002 3.922 3.0891 3.0427 0.6127 3.8527 1.4227 3.0427 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 8 9 10 10 10 12 13 14 15 16 17 17 18 19 20 21 24 26 27 28 29 7 11 7 12 8 13 9 14 15 16 11 12 18 21 19 20 22 23 26 27 24 22 23 25 25 28 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 557 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C78C1820000000000B1F400001E00000000000C0C819E0031D6F7081400A003246264008288292122A0099820376C988E2EE2C4F9DB873C28ECC013D8E82790C0C00E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-(4-phenylquinazolin-2-yl)phenoxazine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-(4-phenyl-2-quinazolinyl)phenoxazine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-(4-phenylquinazolin-2-yl)phenoxazine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-(4-phenylquinazolin-2-yl)phenoxazine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-(4-phenylquinazolin-2-yl)phenoxazine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-(4-phenylquinazolin-2-yl)phenoxazine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H17N3O/c1-2-10-18(11-3-1)25-19-12-4-5-13-20(19)27-26(28-25)29-21-14-6-8-16-23(21)30-24-17-9-7-15-22(24)29/h1-17H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WEWMTLVNKCXNQU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.137162174 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H17N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5OC6=CC=CC=C64 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5OC6=CC=CC=C64 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.137162174 30 0 0 0 0 0 0 0 1 -1