N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Formula:C28H23N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C28H23N3O5
Smiles	[O-][N+](c1cc(-c2ccc(/C=C(\C(NCCc3ccccc3)=O)/NC(c3ccccc3)=O)o2)ccc1)=O
InChI	InChI=1S/C28H23N3O5/c32-27(21-10-5-2-6-11-21)30-25(28(33)29-17-16-20-8-3-1-4-9-20)19-24-14-15-26(36-24)22-12-7-13-23(18-22)31(34)35/h1-15,18-19H,16-17H2,(H,29,33)(H,30,32)
InChIK	BAPMHEZBOFSOJU-UHFFFAOYSA-N
TotalMolweight	481.507
Molweight	481.507
MonoisotopicMass	481.163772
CLogP	4.5806
CLogS	-6.721
H Acceptors	8
H Donors	2
TotalSurfaceArea	376.55
Relative PSA	0.24839
PolarSurfaceArea	117.16
Druglikeness	-0.59045
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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