5-(2-amino-1,3-thiazol-4-yl)-3-nitrobenzene-1,2-diol

Formula:C9H7N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(2-amino-1,3-thiazol-4-yl)-3-nitrobenzene-1,2-diol is a drug-like molecule.

MolName	5-(2-amino-1,3-thiazol-4-yl)-3-nitrobenzene-1,2-diol
MolecularFormula	C9H7N3O4S
Smiles	Nc1nc(-c(cc2[N+]([O-])=O)cc(O)c2O)cs1
InChI	InChI=1S/C9H7N3O4S/c10-9-11-5(3-17-9)4-1-6(12(15)16)8(14)7(13)2-4/h1-3,13-14H,(H2,10,11)
InChIK	VWNFEBOHWDITPS-UHFFFAOYSA-N
TotalMolweight	253.238
Molweight	253.238
MonoisotopicMass	253.015727
CLogP	0.5744
CLogS	-3.071
H Acceptors	7
H Donors	3
TotalSurfaceArea	172.61
Relative PSA	0.598
PolarSurfaceArea	153.43
Druglikeness	-2.4698
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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