N-[(E)-3-(benzylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide

Formula:C23H18N3O4Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
MolecularFormula	C23H18N3O4Cl
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(NCc1ccccc1)=O)=C/c(cccc1)c1Cl)=O)=O
InChI	InChI=1S/C23H18ClN3O4/c24-20-9-5-4-8-18(20)14-21(23(29)25-15-16-6-2-1-3-7-16)26-22(28)17-10-12-19(13-11-17)27(30)31/h1-14H,15H2,(H,25,29)(H,26,28)
InChIK	HNYMJXMGDBFHOQ-UHFFFAOYSA-N
TotalMolweight	435.866
Molweight	435.866
MonoisotopicMass	435.098584
CLogP	3.8176
CLogS	-5.885
H Acceptors	7
H Donors	2
TotalSurfaceArea	328.76
Relative PSA	0.24157
PolarSurfaceArea	104.02
Druglikeness	-1.6164
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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