11-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C21H26N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is a drug-like molecule.

MolName	11-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormula	C21H26N2O5S2
Smiles	[O-][N+](c1cccc(/C=C(/C(N2CCCCCCCCCCC(O)=O)=O)\SC2=S)c1)=O
InChI	InChI=1S/C21H26N2O5S2/c24-19(25)12-7-5-3-1-2-4-6-8-13-22-20(26)18(30-21(22)29)15-16-10-9-11-17(14-16)23(27)28/h9-11,14-15H,1-8,12-13H2,(H,24,25)
InChIK	VVNYEVFVQPJEGW-UHFFFAOYSA-N
TotalMolweight	450.578
Molweight	450.578
MonoisotopicMass	450.128313
CLogP	3.6951
CLogS	-5.803
H Acceptors	7
H Donors	1
TotalSurfaceArea	348.09
Relative PSA	0.34083
PolarSurfaceArea	160.82
Druglikeness	-11.708
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	13
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Amides	1
AcidicOxygens	2
StereoCon

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