6877385 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 8 7 7 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 2 2 2 3 4 4 5 5 6 6 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 15 16 16 17 18 3 32 4 5 8 18 6 10 7 11 7 9 12 15 19 20 13 21 14 22 16 23 17 24 14 18 25 26 27 28 17 29 30 31 1 1 1 1 1 2 2 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 -1 1 18 13 31 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 9.0443 4.5274 8.378 5.3364 3.7183 5.0274 4.0274 4.5274 5.7123 6.3518 2.7029 3.3424 6.7328 7.0547 3.6613 2 2.3219 7.3991 5.1379 4.7394 5.5139 6.5365 2.5182 3.5408 7.6607 3.9713 3.1244 3.3513 1.394 1.9088 7.2052 9.6512 -2.4274 0.9748 -1.6817 0.387 0.387 -0.5641 -0.5641 1.9748 -1.3488 0.6192 0.6192 -1.3488 -1.1401 -0.1495 2.4747 -0.1495 -1.1401 -1.8858 1.8671 2.5574 -1.9362 1.211 1.211 -1.9362 -0.0182 3.0117 2.7848 1.9378 -0.0182 -1.6025 -2.4747 -2.3008 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 6 7 9 10 11 12 13 16 4 5 6 10 7 11 7 9 12 13 14 16 17 14 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 318 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371C073200000000000000000000000000000016000000030600000000000005801FC00001C00040800000C08C11E0432C0F31C1000A0033463440082802021022008D8203864980820E2C09191842008608000C8C8071080C00E88000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3E)-9-ethylcarbazole-3-carbaldehyde oxime IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3E)-9-ethyl-3-carbazolecarboxaldehyde oxime IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>N</I><I>E</I>)-<I>N</I>-[(9-ethylcarbazol-3-yl)methylidene]hydroxylamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-N-[(9-ethylcarbazol-3-yl)methylidene]hydroxylamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NE)-N-[(9-ethylcarbazol-3-yl)methylidene]hydroxylamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3E)-9-ethylcarbazole-3-carbaldehyde oxime InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H14N2O/c1-2-17-14-6-4-3-5-12(14)13-9-11(10-16-18)7-8-15(13)17/h3-10,18H,2H2,1H3/b16-10+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FTCBKTWYMQRPFV-MHWRWJLKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=C(C=C(C=C2)C=NO)C3=CC=CC=C31 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=C(C=C(C=C2)/C=N/O)C3=CC=CC=C31 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.110613074 18 0 0 0 1 1 0 0 1 2