[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate

Formula:C17H9N3O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate is a drug-like molecule.

MolName	[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate
MolecularFormula	C17H9N3O7S2
Smiles	[O-][N+](c1cc(C(Oc2ccc(/C=C(/C(N3)=O)\SC3=S)cc2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C17H9N3O7S2/c21-15-14(29-17(28)18-15)5-9-1-3-13(4-2-9)27-16(22)10-6-11(19(23)24)8-12(7-10)20(25)26/h1-8H,(H,18,21,28)
InChIK	HOZAUJCRLNXCHL-UHFFFAOYSA-N
TotalMolweight	431.404
Molweight	431.404
MonoisotopicMass	430.988192
CLogP	0.7315
CLogS	-5.89
H Acceptors	10
H Donors	1
TotalSurfaceArea	298.73
Relative PSA	0.51508
PolarSurfaceArea	204.43
Druglikeness	-2.6633
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon

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1 - [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate | 2 - [4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3,5-dinitrobenzoate

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