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

Formula:C23H16N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoate is a drug-like molecule.

MolName	3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoate
MolecularFormula	C23H16N3O6
Smiles	[O-]C(c1cccc(NC(c(cccc2)c2NC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)=O)c1)=O
InChI	InChI=1S/C23H17N3O6/c27-21(13-10-15-8-11-18(12-9-15)26(31)32)25-20-7-2-1-6-19(20)22(28)24-17-5-3-4-16(14-17)23(29)30/h1-14H,(H,24,28)(H,25,27)(H,29,30)/p-1
InChIK	WLPLEDVOMDQIKN-UHFFFAOYSA-M
TotalMolweight	430.395
Molweight	430.395
MonoisotopicMass	430.103912
CLogP	0.7713
CLogS	-5.483
H Acceptors	9
H Donors	2
TotalSurfaceArea	326.65
Relative PSA	0.32677
PolarSurfaceArea	144.15
Druglikeness	-5.3337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoate | 2 - 3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoate

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