(4Z)-4-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one

Formula:C38H27N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-4-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one
MolecularFormula	C38H27N4O2Cl
Smiles	O=C(/C1=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2Cl)N(c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C38H27ClN4O2/c39-31-20-16-27(17-21-31)26-45-34-22-18-29(19-23-34)36-30(25-42(40-36)32-12-6-2-7-13-32)24-35-37(28-10-4-1-5-11-28)41-43(38(35)44)33-14-8-3-9-15-33/h1-25H,26H2
InChIK	CAAWTBRXAULYEX-UHFFFAOYSA-N
TotalMolweight	607.111
Molweight	607.111
MonoisotopicMass	606.182253
CLogP	7.6599
CLogS	-8.421
H Acceptors	6
TotalSurfaceArea	461.43
Relative PSA	0.12123
PolarSurfaceArea	59.72
Druglikeness	4.0202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46667
Fragments	1
Non HAtoms	45
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	35
Sp3Atoms	2
Symmetricatoms	10
Aromatic Nitrogens	2
StereoCon

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