N-[(Z)-1-(furan-2-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C20H15N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(furan-2-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-(furan-2-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C20H15N3O5
Smiles	[O-][N+](c1cc(NC(/C(/NC(c2ccccc2)=O)=C/c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C20H15N3O5/c24-19(14-6-2-1-3-7-14)22-18(13-17-10-5-11-28-17)20(25)21-15-8-4-9-16(12-15)23(26)27/h1-13H,(H,21,25)(H,22,24)
InChIK	XHJOFYCTMXBHGM-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	-2.3435
Mutagenic	high
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	2
Amides	2
AcidicOxygens	1
StereoCon

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