(5Z)-2-amino-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazol-4-one

Formula:C10H6N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-2-amino-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-amino-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazol-4-one
MolecularFormula	C10H6N4O6S
Smiles	NC(S/C1=C\c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)c2O)=NC1=O
InChI	InChI=1S/C10H6N4O6S/c11-10-12-9(16)7(21-10)2-4-1-5(13(17)18)3-6(8(4)15)14(19)20/h1-3,15H,(H2,11,12,16)
InChIK	JPAAYYWZUMBMSN-UHFFFAOYSA-N
TotalMolweight	310.246
Molweight	310.246
MonoisotopicMass	310.000806
CLogP	-1.2499
CLogS	-3.913
H Acceptors	10
H Donors	2
TotalSurfaceArea	204.89
Relative PSA	0.64059
PolarSurfaceArea	192.62
Druglikeness	-2.8304
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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