5405414 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 9 8 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 3 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 11 11 12 13 13 14 15 15 16 16 17 17 18 19 14 12 4 5 21 6 22 7 8 7 9 20 10 11 12 13 14 23 15 24 16 17 25 18 18 26 19 27 19 28 29 30 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 6 4 7 9 12 13 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 28 29 30 7.3967 2 3.232 2.923 4.232 3.732 4.5411 4.8198 3.732 5.8144 4.4131 2.866 4.5981 6.4021 5.0009 2.866 4.5981 5.9954 3.732 5.1307 2.8676 2.3334 6.0665 3.7965 5.135 4.7487 2.3291 5.135 6.3598 3.732 2.4126 -1.5352 1.0036 0.0526 1.0036 -0.5352 0.0526 1.8126 -1.5352 1.7081 2.7262 -2.0352 -2.0352 2.5171 3.5352 -3.0352 -3.0352 3.4307 -3.5352 -0.139 1.5052 -0.139 1.1417 2.791 -1.7252 4.1016 -3.3452 -3.3452 3.9323 -4.1552 8 8 8 8 8 8 8 8 10 11 14 15 10 11 14 15 18 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 516 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732100000000000000000000000000000100000000304000000000000000010000001F00180000000C0C8198083000806200008802A452400082000020020218A8010004C80820228091118020006090000889C71080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6Z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6Z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6<I>Z</I>)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6Z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6Z)-6-[5-(3-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6Z)-6-[5-(3-fluorophenyl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H11FN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,17-18H/b14-12- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BHRGBFSGIHWOMG-OWBHPGMISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.08554114 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H11FN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=C2C=C(NN2)C3=CC(=CC=C3)F)C(=O)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=C/C(=C/2\C=C(NN2)C3=CC(=CC=C3)F)/C(=O)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.08554114 19 0 0 0 1 1 0 0 1 -1