2-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C21H15N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C21H15N3O3S2
Smiles	OC(CN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C21H15N3O3S2/c25-18(26)13-23-20(27)17(29-21(23)28)11-15-12-24(16-9-5-2-6-10-16)22-19(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,25,26)
InChIK	QFQDHIXYDLKLMU-UHFFFAOYSA-N
TotalMolweight	421.5
Molweight	421.5
MonoisotopicMass	421.055482
CLogP	1.4461
CLogS	-4.426
H Acceptors	6
H Donors	1
TotalSurfaceArea	308.06
Relative PSA	0.34428
PolarSurfaceArea	132.82
Druglikeness	0.12542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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