4-nitro-2-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]phenolate

Formula:C18H14N3O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-2-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]phenolate is a drug-like molecule.

MolName	4-nitro-2-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]phenolate
MolecularFormula	C18H14N3O5S3
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O
InChI	InChI=1S/C18H15N3O5S3/c22-14-6-5-11(21(25)26)9-13(14)19-16(23)4-1-7-20-17(24)15(29-18(20)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,19,23)/p-1
InChIK	VASQJKRDMQTYOT-UHFFFAOYSA-M
TotalMolweight	448.523
Molweight	448.523
MonoisotopicMass	448.009557
CLogP	0.1196
CLogS	-5.126
H Acceptors	8
H Donors	1
TotalSurfaceArea	320.11
Relative PSA	0.47371
PolarSurfaceArea	203.92
Druglikeness	-0.55779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
AcidicOxygens	1
StereoCon

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1 - 4-nitro-2-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]phenolate | 2 - 4-nitro-2-[4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]phenolate

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