(4Z)-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one

Formula:C30H23N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (4Z)-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one
MolecularFormula	C30H23N2O2ClS
Smiles	O=C1N(c2ccccc2)N=C(CSc(cc2)ccc2Cl)/C1=C/c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C30H23ClN2O2S/c31-24-13-17-27(18-14-24)36-21-29-28(30(34)33(32-29)25-9-5-2-6-10-25)19-22-11-15-26(16-12-22)35-20-23-7-3-1-4-8-23/h1-19H,20-21H2
InChIK	DDRYTWCPKGARDY-UHFFFAOYSA-N
TotalMolweight	511.044
Molweight	511.044
MonoisotopicMass	510.116875
CLogP	7.1745
CLogS	-7.226
H Acceptors	4
TotalSurfaceArea	385.2
Relative PSA	0.14431
PolarSurfaceArea	67.2
Druglikeness	4.4
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	8
StereoCon

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