4-chloro-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Formula:C16H10N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate is a drug-like molecule.

MolName	4-chloro-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate
MolecularFormula	C16H10N2O5Cl
Smiles	[O-]C(c(ccc(Cl)c1)c1NC(/C=C/c1cc([N+]([O-])=O)ccc1)=O)=O
InChI	InChI=1S/C16H11ClN2O5/c17-11-5-6-13(16(21)22)14(9-11)18-15(20)7-4-10-2-1-3-12(8-10)19(23)24/h1-9H,(H,18,20)(H,21,22)/p-1
InChIK	XDAKLGNYEHVCBW-UHFFFAOYSA-M
TotalMolweight	345.717
Molweight	345.717
MonoisotopicMass	345.027825
CLogP	0.2298
CLogS	-4.707
H Acceptors	7
H Donors	1
TotalSurfaceArea	253.1
Relative PSA	0.32493
PolarSurfaceArea	115.05
Druglikeness	-5.2455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
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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