N-benzyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide

Formula:C23H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-benzyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide is a drug-like molecule.

MolName	N-benzyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
MolecularFormula	C23H19N3O4
Smiles	[O-][N+](c1c(/C=C/C(Nc(cccc2)c2C(NCc2ccccc2)=O)=O)cccc1)=O
InChI	InChI=1S/C23H19N3O4/c27-22(15-14-18-10-4-7-13-21(18)26(29)30)25-20-12-6-5-11-19(20)23(28)24-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,24,28)(H,25,27)
InChIK	KQLXINQXVUNOTG-UHFFFAOYSA-N
TotalMolweight	401.421
Molweight	401.421
MonoisotopicMass	401.137557
CLogP	3.0716
CLogS	-5.286
H Acceptors	7
H Donors	2
TotalSurfaceArea	315.13
Relative PSA	0.25202
PolarSurfaceArea	104.02
Druglikeness	-4.9887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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