5360681 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 9 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 2 2 2 3 3 4 4 4 5 5 6 7 8 8 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 7 11 23 6 9 5 6 8 7 9 10 19 12 20 21 13 22 14 15 13 24 25 16 26 17 27 18 28 18 29 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 5 4 9 7 19 2 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 7.2101 5.9674 4.6783 3.732 4.6783 3.732 4.9889 2.866 5.2619 2.866 6.2781 2 2 5.6103 7.2566 5.9209 7.5673 6.8994 4.5749 2.866 5.8819 2.866 6.3815 1.4631 1.4631 5.0036 7.6707 5.5069 8.1739 3.3818 -0.4203 -3.1865 -1.8818 -1.577 -2.8818 -0.6265 -1.3818 -2.3818 -3.3818 0.5302 -1.8818 -2.8818 1.2745 0.7364 2.225 1.687 2.4313 -0.1651 -0.7618 -2.3818 -4.0018 -0.8818 -1.5718 -3.1918 1.1467 0.275 2.6865 1.8148 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 8 10 11 11 12 14 15 16 17 6 8 10 12 13 14 15 13 16 17 18 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 342 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 00000371C0730100000000000000000000000000000100000000306000000000000040014000001D00100000000C08C1180C30C082C00000A00234674400820000210200088880286498082022C0919184200860900048C8071080800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-fluoro-N-[(Z)-indol-3-ylidenemethyl]aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-fluoro-N-[(Z)-3-indolylidenemethyl]aniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-fluoro-<I>N</I>-[(<I>Z</I>)-indol-3-ylidenemethyl]aniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-fluoro-N-[(Z)-indol-3-ylidenemethyl]aniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-fluoranyl-N-[(Z)-indol-3-ylidenemethyl]aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[(Z)-indol-3-ylidenemethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H11FN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-10,17H/b11-9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HADLOEAOYXIXMS-PKNBQFBNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.09062652 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H11FN2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=CNC3=CC=C(C=C3)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)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 2021.05.07 238.09062652 18 0 0 0 1 1 0 0 1 -1