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C9H10N2O4 | Cheminformatics
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4-[(2E)-2-amino-2-hydroxyiminoethoxy]benzoic acid

Molecular Formula : C9H10N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[(2E)-2-amino-2-hydroxyiminoethoxy]benzoic acid is a drug-like molecule.

MolName : 4-[(2E)-2-amino-2-hydroxyiminoethoxy]benzoic acid

MolecularFormula : C9H10N2O4

Smiles : N/C(/COc(cc1)ccc1C(O)=O)=N/O

InChI : InChI=1S/C9H10N2O4/c10-8(11-14)5-15-7-3-1-6(2-4-7)9(12)13/h1-4,14H,5H2,(H2,10,11)(H,12,13)

InChIK : VTAONEGQLFSALQ-UHFFFAOYSA-N

TotalMolweight : 210.188

Molweight : 210.188

MonoisotopicMass : 210.064058

CLogP : 0.4283

CLogS : -1.873

H Acceptors : 6

H Donors : 3

TotalSurfaceArea : 158.96

Relative PSA : 0.47823

PolarSurfaceArea : 105.14

Druglikeness : -1.3032

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.73333

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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