N-[(E)-3-(benzhydrylamino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H21N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-(benzhydrylamino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(benzhydrylamino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H21N3O5
Smiles	[O-][N+](c1ccc(/C=C(\C(NC(c2ccccc2)c2ccccc2)=O)/NC(c2ccccc2)=O)o1)=O
InChI	InChI=1S/C27H21N3O5/c31-26(21-14-8-3-9-15-21)28-23(18-22-16-17-24(35-22)30(33)34)27(32)29-25(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,25H,(H,28,31)(H,29,32)
InChIK	DBDBNACEFIBVBF-UHFFFAOYSA-N
TotalMolweight	467.48
Molweight	467.48
MonoisotopicMass	467.148122
CLogP	4.4675
CLogS	-6.616
H Acceptors	8
H Donors	2
TotalSurfaceArea	361.53
Relative PSA	0.25871
PolarSurfaceArea	117.16
Druglikeness	-0.11827
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	10
Amides	2
AcidicOxygens	1
StereoCon

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