(4Z)-2,5-diphenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one

Formula:C29H20N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2,5-diphenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-2,5-diphenyl-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]pyrazol-3-one
MolecularFormula	C29H20N4OS
Smiles	O=C(/C1=C\c2cn(-c3ccccc3)nc2-c2cccs2)N(c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C29H20N4OS/c34-29-25(27(21-11-4-1-5-12-21)31-33(29)24-15-8-3-9-16-24)19-22-20-32(23-13-6-2-7-14-23)30-28(22)26-17-10-18-35-26/h1-20H
InChIK	VNSZVLVKMDONQW-UHFFFAOYSA-N
TotalMolweight	472.571
Molweight	472.571
MonoisotopicMass	472.135781
CLogP	5.7293
CLogS	-6.265
H Acceptors	5
TotalSurfaceArea	358.43
Relative PSA	0.18497
PolarSurfaceArea	78.73
Druglikeness	5.6357
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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