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1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Formula:C30H25N5OF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is not a drug-like molecule.
MolName1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
MolecularFormulaC30H25N5OF2S
SmilesO=C(CSc1nncn1-c1ccccc1)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F
InChIInChI=1S/C30H25F2N5OS/c31-23-13-9-20(10-14-23)17-22-5-4-8-26-28(22)35-37(29(26)21-11-15-24(32)16-12-21)27(38)18-39-30-34-33-19-36(30)25-6-2-1-3-7-25/h1-3,6-7,9-17,19,26,29H,4-5,8,18H2
InChIKKRIGHPLZDUNIIB-UHFFFAOYSA-N
TotalMolweight541.625
Molweight541.625
MonoisotopicMass541.174786
CLogP5.7453
CLogS-8.75
H Acceptors6
TotalSurfaceArea398.22
Relative PSA0.18683
PolarSurfaceArea88.68
Druglikeness0.59943
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48718
Fragments1
Non HAtoms39
NonCHAtoms9
Electronegative Atoms9
StereoCenters2
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms7
Symmetricatoms6
Aromatic Nitrogens3
StereoConunknown chirality

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