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[(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone

Formula:C31H28N3O4Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone is not a drug-like molecule.
MolName[(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
MolecularFormulaC31H28N3O4Cl2FS
SmilesO=C(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1F)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C\c(cc1)ccc1Cl
InChIInChI=1S/C31H28Cl2FN3O4S/c32-24-9-4-20(5-10-24)18-22-2-1-3-26-29(22)35-37(30(26)21-6-11-25(33)12-7-21)31(38)23-8-13-27(34)28(19-23)42(39,40)36-14-16-41-17-15-36/h4-13,18-19,26,30H,1-3,14-17H2
InChIKLTVFIKVLVARUIV-UHFFFAOYSA-N
TotalMolweight628.55
Molweight628.55
MonoisotopicMass627.116159
CLogP6.2121
CLogS-6.564
H Acceptors7
TotalSurfaceArea435.4
Relative PSA0.1613
PolarSurfaceArea87.66
Druglikeness0.098995
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45238
Fragments1
Non HAtoms42
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms11
Symmetricatoms7
Amides1
StereoConunknown chirality

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