57394865 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 9 9 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 2 3 4 4 4 5 5 6 6 6 7 7 8 9 9 10 11 12 12 13 13 13 14 14 15 15 16 16 17 18 19 19 20 21 21 21 9 10 25 8 11 7 8 12 10 11 14 15 16 22 23 19 24 17 18 21 20 26 17 27 18 28 29 30 20 31 32 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 7 6 11 10 22 4 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 8.1606 7.5208 6.2596 5.9674 4.6783 3.732 4.6783 3.732 6.2781 4.9889 5.2619 2.866 6.8994 2.866 7.2566 5.6103 7.5673 5.9209 2 2 7.2101 4.5749 5.8819 2.866 6.3815 2.866 7.6707 5.0036 8.1739 5.5069 1.4631 1.4631 2.5958 3.857 3.2172 -0.8956 -3.6618 -2.357 -2.0523 -3.357 0.055 -1.1018 -2.857 -1.857 1.956 -3.857 0.2612 0.7993 1.2117 1.7498 -2.357 -3.357 2.9065 -0.6403 -2.857 -1.237 -1.357 -4.477 -0.2003 0.6714 1.3396 2.2112 -2.047 -3.667 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 9 9 12 13 13 14 15 16 19 8 12 14 15 16 19 17 18 20 17 18 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 420 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371C07B0180000000000000000000000000000100000000306000000000000040014000001D00100000000C08C1181430C082C00000A00234674400820000210200088880286498082022C0919184200860900048C8071080800E08000000000200001000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-indol-3-ylidenemethyl]-4-(trifluoromethyl)aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-3-indolylidenemethyl]-4-(trifluoromethyl)aniline 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-(trifluoromethyl)aniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-indol-3-ylidenemethyl]-4-(trifluoromethyl)aniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(Z)-indol-3-ylidenemethyl]-4-(trifluoromethyl)aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(Z)-indol-3-ylidenemethyl]-[4-(trifluoromethyl)phenyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H11F3N2/c17-16(18,19)12-5-7-13(8-6-12)20-9-11-10-21-15-4-2-1-3-14(11)15/h1-10,20H/b11-9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FBCBTGCHWJCKTQ-PKNBQFBNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.08743285 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H11F3N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=CNC3=CC=C(C=C3)C(F)(F)F)C=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)/C(=C/NC3=CC=C(C=C3)C(F)(F)F)/C=N2 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 2021.05.07 288.08743285 21 0 0 0 1 1 0 0 1 -1