N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide

Formula:C20H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(4-nitroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C20H15N3O5
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c1ccco1)=O)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C20H15N3O5/c24-19(21-15-8-10-16(11-9-15)23(26)27)17(13-14-5-2-1-3-6-14)22-20(25)18-7-4-12-28-18/h1-13H,(H,21,24)(H,22,25)
InChIK	MOJMNQNNGBURCT-UHFFFAOYSA-N
TotalMolweight	377.355
Molweight	377.355
MonoisotopicMass	377.101172
CLogP	2.6909
CLogS	-5.015
H Acceptors	8
H Donors	2
TotalSurfaceArea	289.27
Relative PSA	0.32333
PolarSurfaceArea	117.16
Druglikeness	-2.1883
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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