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[2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate

Formula:C30H28N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is not a drug-like molecule.
MolName[2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
MolecularFormulaC30H28N2O3Cl2
SmilesO=C(COC(C1C(C2)C=CC2C1)=O)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl
InChIInChI=1S/C30H28Cl2N2O3/c31-23-10-5-18(6-11-23)14-22-2-1-3-25-28(22)33-34(29(25)20-8-12-24(32)13-9-20)27(35)17-37-30(36)26-16-19-4-7-21(26)15-19/h4-14,19,21,25-26,29H,1-3,15-17H2
InChIKRZQBETXSBZQPGF-UHFFFAOYSA-N
TotalMolweight535.469
Molweight535.469
MonoisotopicMass534.147697
CLogP6.1547
CLogS-7.011
H Acceptors5
TotalSurfaceArea384.9
Relative PSA0.13287
PolarSurfaceArea58.97
Druglikeness2.0862
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms7
Electronegative Atoms7
StereoCenters5
Rotatable Bond6
Rings Closures6
Small Rings7
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms4
StereoConunknown chirality

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