1257250 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 17 16 9 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 12 12 13 13 14 14 15 16 16 15 11 17 10 10 11 23 11 12 24 8 9 10 18 9 19 20 21 22 13 14 15 25 16 26 17 17 27 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 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 2 5.4641 3.732 6.3301 4.5981 3.732 5.4641 5.9641 4.9641 5.4641 4.5981 3.732 2.866 4.5981 2.866 4.5981 3.732 6.063 6.5467 6.0718 4.8564 4.3815 4.0611 3.1951 2.3291 5.135 5.135 -2.933 0.067 -3.933 1.567 1.567 0.067 3.067 3.933 3.933 2.067 0.567 -0.933 -1.433 -1.433 -2.433 -2.433 -2.933 2.9065 3.721 4.5436 4.5436 3.721 1.877 0.377 -1.123 -1.123 -2.743 8 8 8 8 8 8 12 12 13 14 15 16 13 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 325 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0732100440000000000000000001800000000000000300000000000000000010000001F06100000000D0A81902831C082C000008C0025525000820000210709088801006688882032C1939184200868910248C8271000000000000000020000000000000004000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]cyclopropanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]cyclopropanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]cyclopropanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H10ClFN2OS/c12-8-5-7(3-4-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NNHBHBHICWBVRN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.0186400 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H10ClFN2OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.73 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.0186400 17 0 0 0 0 0 0 0 1 5