5-chloro-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C16H11N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-chloro-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	5-chloro-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C16H11N2O5Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc(ccc(Cl)c2)c2C(O)=O)=O)c1)=O
InChI	InChI=1S/C16H11ClN2O5/c17-11-5-6-14(13(9-11)16(21)22)18-15(20)7-4-10-2-1-3-12(8-10)19(23)24/h1-9H,(H,18,20)(H,21,22)
InChIK	AYFXDSBPQMKMIW-UHFFFAOYSA-N
TotalMolweight	346.725
Molweight	346.725
MonoisotopicMass	346.03565
CLogP	2.3058
CLogS	-4.707
H Acceptors	7
H Donors	2
TotalSurfaceArea	251.92
Relative PSA	0.32177
PolarSurfaceArea	112.22
Druglikeness	-5.4439
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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