2-[(2E)-2-hydroxyimino-2-(3-nitrophenyl)ethyl]sulfanylbenzoic acid

Formula:C15H12N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E)-2-hydroxyimino-2-(3-nitrophenyl)ethyl]sulfanylbenzoic acid is a drug-like molecule.

MolName	2-[(2E)-2-hydroxyimino-2-(3-nitrophenyl)ethyl]sulfanylbenzoic acid
MolecularFormula	C15H12N2O5S
Smiles	[O-][N+](c1cccc(/C(/CSc(cccc2)c2C(O)=O)=N\O)c1)=O
InChI	InChI=1S/C15H12N2O5S/c18-15(19)12-6-1-2-7-14(12)23-9-13(16-20)10-4-3-5-11(8-10)17(21)22/h1-8,20H,9H2,(H,18,19)
InChIK	NRFSGCLPVPUELW-UHFFFAOYSA-N
TotalMolweight	332.335
Molweight	332.335
MonoisotopicMass	332.046693
CLogP	2.3723
CLogS	-4.86
H Acceptors	7
H Donors	2
TotalSurfaceArea	241.36
Relative PSA	0.40877
PolarSurfaceArea	141.01
Druglikeness	-5.4685
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	2
StereoCon

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