5-[(2E)-2-(2-amino-4-methylidene-1,3-thiazol-5-ylidene)hydrazinyl]benzene-1,3-dicarboxylate

Formula:C12H8N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(2E)-2-(2-amino-4-methylidene-1,3-thiazol-5-ylidene)hydrazinyl]benzene-1,3-dicarboxylate is a drug-like molecule.

MolName	5-[(2E)-2-(2-amino-4-methylidene-1,3-thiazol-5-ylidene)hydrazinyl]benzene-1,3-dicarboxylate
MolecularFormula	C12H8N4O4S
Smiles	C=C1N=C(N)S/C1=N/Nc1cc(C([O-])=O)cc(C([O-])=O)c1
InChI	InChI=1S/C12H10N4O4S/c1-5-9(21-12(13)14-5)16-15-8-3-6(10(17)18)2-7(4-8)11(19)20/h2-4,15H,1H2,(H2,13,14)(H,17,18)(H,19,20)/p-2
InChIK	DJTIVMMWVUVSLR-UHFFFAOYSA-L
TotalMolweight	304.286
Molweight	304.286
MonoisotopicMass	304.026626
CLogP	-2.721
CLogS	-2.509
H Acceptors	8
H Donors	2
TotalSurfaceArea	216.48
Relative PSA	0.56301
PolarSurfaceArea	168.33
Druglikeness	-0.051882
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	5
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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