59298130 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 17 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 -1 1 2 2 3 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 10 10 12 12 12 11 5 12 4 5 6 13 7 8 14 15 16 17 18 9 19 10 20 11 21 11 22 23 24 25 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 3 4 5 6 13 3 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 2.866 3.732 2.866 2.866 3.732 2 2 3.732 2 3.732 2.866 4.5981 2.866 3.9441 4.3426 2.31 1.4631 1.69 1.4631 4.269 1.4631 4.269 4.9081 5.135 4.2881 -3 2.5 1 0 1.5 1.5 -0.5 -0.5 -1.5 -1.5 -2 3 1.62 0.9174 1.6077 2.0369 1.81 0.9631 -0.19 -0.19 -1.81 -1.81 2.4631 3.31 3.5369 3 8 8 8 8 8 8 3 4 4 7 8 9 10 6 7 8 9 10 11 11 -1 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 119 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0720000040000000000000000000000000000000000300000000000000000010000001C02000000000D02C118243200820000008002204200000200002005000888000802880820228193118420002080000888071080C00E84000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)propyl-methyl-azanide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)propyl-methylazanide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)propyl-methylazanide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)propyl-methylazanide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)propyl-methyl-azanide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)propyl-methyl-azanide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H13ClN/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/q-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NRTDDRCNZKWLSG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.0736521 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H13ClN- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.67 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C[N-]C)C1=CC=C(C=C1)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C[N-]C)C1=CC=C(C=C1)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.0736521 12 1 0 1 0 0 0 0 1 -1