N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide

Formula:C20H15N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
MolecularFormula	C20H15N3O5
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(Nc1ccccc1)=O)=C/c1ccco1)=O)=O
InChI	InChI=1S/C20H15N3O5/c24-19(14-8-10-16(11-9-14)23(26)27)22-18(13-17-7-4-12-28-17)20(25)21-15-5-2-1-3-6-15/h1-13H,(H,21,25)(H,22,24)
InChIK	OVUQMKXGOCLCIR-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	0.53571
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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