5-[[(E)-3-carboxyprop-2-enoyl]amino]-2-chlorobenzoic acid

Formula:C11H8NO5Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-[[(E)-3-carboxyprop-2-enoyl]amino]-2-chlorobenzoic acid is a drug-like molecule.

MolName	5-[[(E)-3-carboxyprop-2-enoyl]amino]-2-chlorobenzoic acid
MolecularFormula	C11H8NO5Cl
Smiles	OC(/C=C/C(Nc(cc1)cc(C(O)=O)c1Cl)=O)=O
InChI	InChI=1S/C11H8ClNO5/c12-8-2-1-6(5-7(8)11(17)18)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)(H,17,18)
InChIK	LWMGKFARXOYPGR-UHFFFAOYSA-N
TotalMolweight	269.64
Molweight	269.64
MonoisotopicMass	269.009101
CLogP	0.8347
CLogS	-2.494
H Acceptors	6
H Donors	3
TotalSurfaceArea	192.59
Relative PSA	0.39867
PolarSurfaceArea	103.7
Druglikeness	1.2003
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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