(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]pyrazol-3-one

Formula:C25H16N3O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]pyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]pyrazol-3-one
MolecularFormula	C25H16N3O3ClS2
Smiles	O=C1N(c2nc(cccc3)c3s2)N=C(CSc(cc2)ccc2Cl)/C1=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C25H16ClN3O3S2/c26-16-6-8-17(9-7-16)33-13-20-18(11-15-5-10-21-22(12-15)32-14-31-21)24(30)29(28-20)25-27-19-3-1-2-4-23(19)34-25/h1-12H,13-14H2
InChIK	VNEFEEMHVVBGNG-UHFFFAOYSA-N
TotalMolweight	506.005
Molweight	506.005
MonoisotopicMass	505.032159
CLogP	6.7402
CLogS	-7.563
H Acceptors	6
TotalSurfaceArea	351.24
Relative PSA	0.27594
PolarSurfaceArea	117.56
Druglikeness	4.6167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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