5390937 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 8 7 7 7 7 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 2 2 2 3 4 4 6 6 7 8 8 9 9 9 10 10 11 11 12 13 13 14 14 15 16 16 17 18 19 19 19 16 19 3 5 6 15 5 7 7 8 10 11 20 13 14 15 12 21 12 22 23 17 24 18 25 26 17 18 27 28 29 30 31 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 3 -1 2 15 26 9 2 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 8.6388 4.6783 4.9889 4.6783 5.2619 3.732 3.732 2.866 6.6353 2.866 2 2 6.3246 7.6138 5.9674 7.971 6.9925 8.2816 9.6173 2.866 2.866 1.4631 1.4631 5.718 7.8064 6.16 6.7998 8.8883 9.7452 10.224 9.4895 -1.7833 0.0372 0.9877 -1.5723 -0.7675 -0.2675 -1.2675 0.2325 0.4496 -1.7675 -0.2675 -1.2675 -0.5009 0.6559 1.1939 -1.039 -1.2452 -0.0884 -1.577 0.8525 -2.3875 0.0425 -1.5775 -0.6287 1.2452 1.7833 -1.8345 0.0394 -2.1837 -1.4492 -0.9704 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 6 6 7 8 9 9 10 11 13 14 16 16 5 6 5 7 7 8 10 11 13 14 12 12 17 18 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 315 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073A00000000000000000000000000000016000000030600000000000005801F400001E00080000000C0CC19E0632C6B0000400A20334634000920C04203200189820367C980C66A284B19B80302064C81108E80790C0000E20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-(1-benzotriazolyl)-1-(4-methoxyphenyl)methanimine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>Z</I>)-<I>N</I>-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-benzotriazol-1-yl(p-anisylidene)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N4O/c1-19-12-8-6-11(7-9-12)10-15-18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XNZVPGGSVXSUSN-GDNBJRDFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.10111102 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C=NN2C3=CC=CC=C3N=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)/C=N\N2C3=CC=CC=C3N=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.10111102 19 0 0 0 1 1 0 0 1 1