53364559 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 17 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 13 13 13 15 16 16 17 17 18 18 19 10 11 7 15 12 14 8 9 12 12 14 10 20 21 11 22 23 24 25 26 27 14 15 16 17 18 28 19 29 19 30 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 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 2 8.6279 5.5443 7.6279 5.855 7.6279 6.1279 7.1279 8.6279 7.6279 9.1279 7.1279 4.5981 5.5443 4.5981 3.732 3.732 2.866 2.866 6.653 6.653 9.2105 8.5202 7.0453 7.7356 9.6028 9.6028 3.732 3.732 2.3291 -0.5786 -2.1767 -0.3833 1.2874 2.1767 -0.4446 0.4214 -1.3106 -0.4446 -2.1767 -1.3106 0.4214 0.9214 1.2261 -0.0786 1.4214 -0.5786 0.9214 -0.0786 -0.9121 -1.7092 -0.2326 0.166 -2.3887 -2.7872 -1.7092 -0.9121 2.0414 -1.1986 1.2314 8 8 8 8 8 8 8 8 8 8 3 3 7 13 13 13 15 16 17 18 7 15 14 14 15 16 17 18 19 19 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 386 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07338000400000000000000000000000001600000003C4000000000000058010000001E02040000000C06E198263106831004008802215210008200002425002888010E0EC88A26368197138731486EE73398898798C8208E04000001000800000800000200100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloro-2-(morpholine-4-carbonyl)-1,2-benzoxazol-3-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloro-2-[4-morpholinyl(oxo)methyl]-1,2-benzoxazol-3-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloro-2-(morpholine-4-carbonyl)-1,2-benzoxazol-3-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloro-2-(morpholine-4-carbonyl)-1,2-benzoxazol-3-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloranyl-2-morpholin-4-ylcarbonyl-1,2-benzoxazol-3-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-chloro-2-(morpholine-4-carbonyl)indoxazen-3-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H11ClN2O4/c13-8-1-2-9-10(7-8)19-15(11(9)16)12(17)14-3-5-18-6-4-14/h1-2,7H,3-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MNZAYGAIGDCPCF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.0407345 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H11ClN2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(=O)N2C(=O)C3=C(O2)C=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(=O)N2C(=O)C3=C(O2)C=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 59.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.0407345 19 0 0 0 0 0 0 0 1 -1