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C10H9NO4 | Cheminformatics
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4-[[(Z)-2-hydroxy-3-oxoprop-1-enyl]amino]benzoic acid

Molecular Formula : C10H9NO4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-[[(Z)-2-hydroxy-3-oxoprop-1-enyl]amino]benzoic acid is a drug-like molecule.

MolName : 4-[[(Z)-2-hydroxy-3-oxoprop-1-enyl]amino]benzoic acid

MolecularFormula : C10H9NO4

Smiles : O/C(/C=O)=C\Nc(cc1)ccc1C(O)=O

InChI : InChI=1S/C10H9NO4/c12-6-9(13)5-11-8-3-1-7(2-4-8)10(14)15/h1-6,11,13H,(H,14,15)

InChIK : MRHDDYZBPVATQA-UHFFFAOYSA-N

TotalMolweight : 207.184

Molweight : 207.184

MonoisotopicMass : 207.053159

CLogP : 0.1003

CLogS : -2.122

H Acceptors : 5

H Donors : 3

TotalSurfaceArea : 159.42

Relative PSA : 0.39982

PolarSurfaceArea : 86.63

Druglikeness : -2.6979

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.73333

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon :

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