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[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Formula:C29H26N2OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is not a drug-like molecule.
MolName[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
MolecularFormulaC29H26N2OCl2S
SmilesO=C(c1cc(CCCC2)c2s1)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl
InChIInChI=1S/C29H26Cl2N2OS/c30-22-12-8-18(9-13-22)16-21-5-3-6-24-27(21)32-33(28(24)19-10-14-23(31)15-11-19)29(34)26-17-20-4-1-2-7-25(20)35-26/h8-17,24,28H,1-7H2
InChIKPYGAWANYPBBZIJ-UHFFFAOYSA-N
TotalMolweight521.51
Molweight521.51
MonoisotopicMass520.114287
CLogP8.1741
CLogS-8.256
H Acceptors3
TotalSurfaceArea376.11
Relative PSA0.12885
PolarSurfaceArea60.91
Druglikeness-0.15506
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45714
Fragments1
Non HAtoms35
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms9
Symmetricatoms4
StereoConunknown chirality

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