3-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C19H13N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	3-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C19H13N5O3S2
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=N\N(C(CS1)=O)C1=S)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C19H13N5O3S2/c25-17-12-29-19(28)23(17)20-10-14-11-22(15-4-2-1-3-5-15)21-18(14)13-6-8-16(9-7-13)24(26)27/h1-11H,12H2
InChIK	DRVPHFVKRQOHKB-UHFFFAOYSA-N
TotalMolweight	423.476
Molweight	423.476
MonoisotopicMass	423.04598
CLogP	0.9392
CLogS	-5.238
H Acceptors	8
TotalSurfaceArea	307.68
Relative PSA	0.39603
PolarSurfaceArea	153.7
Druglikeness	-0.70711
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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