2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Formula:C23H16N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid is not a drug-like molecule.

MolName	2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
MolecularFormula	C23H16N3O5ClS2
Smiles	OC(CC(C(O)=O)N(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)=O)C1=S)=O
InChI	InChI=1S/C23H16ClN3O5S2/c24-15-8-6-13(7-9-15)20-14(12-26(25-20)16-4-2-1-3-5-16)10-18-21(30)27(23(33)34-18)17(22(31)32)11-19(28)29/h1-10,12,17H,11H2,(H,28,29)(H,31,32)/t17-/m0/s1
InChIK	CJXFLYOLLOBLEA-KRWDZBQOSA-N
TotalMolweight	513.981
Molweight	513.981
MonoisotopicMass	513.021989
CLogP	1.5895
CLogS	-5.285
H Acceptors	8
H Donors	2
TotalSurfaceArea	360.08
Relative PSA	0.36714
PolarSurfaceArea	170.12
Druglikeness	3.5876
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid | 2 - 2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

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