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

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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