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

Formula:C10H8NO3Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[[(Z)-2-chloro-3-oxoprop-1-enyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(Z)-2-chloro-3-oxoprop-1-enyl]amino]benzoic acid
MolecularFormula	C10H8NO3Cl
Smiles	OC(c(cc1)ccc1N/C=C(/C=O)\Cl)=O
InChI	InChI=1S/C10H8ClNO3/c11-8(6-13)5-12-9-3-1-7(2-4-9)10(14)15/h1-6,12H,(H,14,15)
InChIK	AGFUQBOGCOWSKN-UHFFFAOYSA-N
TotalMolweight	225.631
Molweight	225.631
MonoisotopicMass	225.019271
CLogP	0.7286
CLogS	-2.882
H Acceptors	4
H Donors	2
TotalSurfaceArea	168.49
Relative PSA	0.30055
PolarSurfaceArea	66.4
Druglikeness	-2.4767
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone
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	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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