N-[(2E,4E)-1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide

Formula:C25H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2E,4E)-1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(2E,4E)-1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
MolecularFormula	C25H21N3O4
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(NCc1ccccc1)=O)=C/C=C/c1ccccc1)=O)=O
InChI	InChI=1S/C25H21N3O4/c29-24(21-14-16-22(17-15-21)28(31)32)27-23(13-7-12-19-8-3-1-4-9-19)25(30)26-18-20-10-5-2-6-11-20/h1-17H,18H2,(H,26,30)(H,27,29)
InChIK	WEOUYJBEZOAXFS-UHFFFAOYSA-N
TotalMolweight	427.459
Molweight	427.459
MonoisotopicMass	427.153207
CLogP	3.8682
CLogS	-5.461
H Acceptors	7
H Donors	2
TotalSurfaceArea	339.84
Relative PSA	0.2337
PolarSurfaceArea	104.02
Druglikeness	-1.4804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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