2-benzamido-4-nitro-5-[(E)-2-phenylethenyl]benzoic acid

Formula:C22H16N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-benzamido-4-nitro-5-[(E)-2-phenylethenyl]benzoic acid is a drug-like molecule.

MolName	2-benzamido-4-nitro-5-[(E)-2-phenylethenyl]benzoic acid
MolecularFormula	C22H16N2O5
Smiles	[O-][N+](c1c(/C=C/c2ccccc2)cc(C(O)=O)c(NC(c2ccccc2)=O)c1)=O
InChI	InChI=1S/C22H16N2O5/c25-21(16-9-5-2-6-10-16)23-19-14-20(24(28)29)17(13-18(19)22(26)27)12-11-15-7-3-1-4-8-15/h1-14H,(H,23,25)(H,26,27)
InChIK	ACPPMSIYMNLOFM-UHFFFAOYSA-N
TotalMolweight	388.378
Molweight	388.378
MonoisotopicMass	388.105923
CLogP	3.5776
CLogS	-5.737
H Acceptors	7
H Donors	2
TotalSurfaceArea	296.26
Relative PSA	0.27361
PolarSurfaceArea	112.22
Druglikeness	-4.2799
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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