(5Z)-4-anilino-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazol-2-one

Formula:C31H22N4OS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-4-anilino-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazol-2-one is not a drug-like molecule.

MolName	(5Z)-4-anilino-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-1,3-thiazol-2-one
MolecularFormula	C31H22N4OS
Smiles	O=C(N=C1Nc2ccccc2)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C31H22N4OS/c36-31-33-30(32-25-14-8-3-9-15-25)29(37-31)20-22-16-18-26(19-17-22)35-28(24-12-6-2-7-13-24)21-27(34-35)23-10-4-1-5-11-23/h1-21H,(H,32,33,36)
InChIK	NMPQGWUUBVYZNP-UHFFFAOYSA-N
TotalMolweight	498.609
Molweight	498.609
MonoisotopicMass	498.151431
CLogP	5.7274
CLogS	-8.003
H Acceptors	5
H Donors	1
TotalSurfaceArea	381.14
Relative PSA	0.18718
PolarSurfaceArea	84.58
Druglikeness	4.2864
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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