5716998 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 7 7 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 2 2 3 3 3 4 4 5 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 14 14 15 16 17 18 18 18 6 7 22 5 9 4 5 8 6 9 10 19 12 13 14 20 21 15 23 16 17 18 16 24 17 25 15 26 27 28 29 30 31 32 1 1 1 1 2 1 1 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 4 3 9 6 19 1 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 32 5.9674 4.6783 3.732 4.6783 3.732 4.9889 6.2781 2.866 5.2619 2.866 6.8994 7.2566 5.6103 2 2 7.5673 5.9209 7.2101 4.5749 2.866 5.8819 6.3815 2.866 7.6707 5.0036 1.4631 1.4631 8.1739 5.5069 7.7994 7.4027 6.6208 -0.4203 -3.1865 -1.8818 -1.577 -2.8818 -0.6265 0.5302 -1.3818 -2.3818 -3.3818 2.4313 0.7364 1.2745 -1.8818 -2.8818 1.687 2.225 3.3818 -0.1651 -0.7618 -2.3818 -0.8818 -4.0018 0.275 1.1467 -1.5718 -3.1918 1.8148 2.6865 3.1892 3.9711 3.5744 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 7 7 8 10 11 11 12 13 14 5 8 10 12 13 14 15 16 17 16 17 15 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 337 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B0000000000000000000000000000000100000000306000000000000040014000001C00100000000C08C1180432C082C00000A00234674400820000210200088880286498082022C0919184200860900048C8071080800E08000000000200001000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-indol-3-ylidenemethyl]-4-methyl-aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-3-indolylidenemethyl]-4-methylaniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(<I>Z</I>)-indol-3-ylidenemethyl]-4-methylaniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-indol-3-ylidenemethyl]-4-methylaniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-indol-3-ylidenemethyl]-4-methyl-aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(Z)-indol-3-ylidenemethyl]-(p-tolyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H14N2/c1-12-6-8-14(9-7-12)17-10-13-11-18-16-5-3-2-4-15(13)16/h2-11,17H,1H3/b13-10+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NDPOQAAPOHPMDG-JLHYYAGUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.115698455 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H14N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)NC=C2C=NC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)N/C=C/2\C=NC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 24.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.115698455 18 0 0 0 1 1 0 0 1 -1