(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one

Formula:C29H21N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
MolecularFormula	C29H21N2O2Cl
Smiles	O=C(/C1=C\c(cccc2)c2OCc(cc2)ccc2Cl)N(c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C29H21ClN2O2/c30-24-17-15-21(16-18-24)20-34-27-14-8-7-11-23(27)19-26-28(22-9-3-1-4-10-22)31-32(29(26)33)25-12-5-2-6-13-25/h1-19H,20H2
InChIK	LQKFAZUASDHUOI-UHFFFAOYSA-N
TotalMolweight	464.951
Molweight	464.951
MonoisotopicMass	464.129155
CLogP	6.7409
CLogS	-6.908
H Acceptors	4
TotalSurfaceArea	353.95
Relative PSA	0.10764
PolarSurfaceArea	41.9
Druglikeness	4.0202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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