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

Formula:C21H17N3O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
MolecularFormula	C21H17N3O5
Smiles	[O-][N+](c(cc1)ccc1C(N/C(/C(NCc1ccccc1)=O)=C/c1ccco1)=O)=O
InChI	InChI=1S/C21H17N3O5/c25-20(16-8-10-17(11-9-16)24(27)28)23-19(13-18-7-4-12-29-18)21(26)22-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,26)(H,23,25)
InChIK	ZDSILLVJHZDJJY-UHFFFAOYSA-N
TotalMolweight	391.382
Molweight	391.382
MonoisotopicMass	391.116822
CLogP	2.4003
CLogS	-4.831
H Acceptors	8
H Donors	2
TotalSurfaceArea	303.03
Relative PSA	0.30865
PolarSurfaceArea	117.16
Druglikeness	-1.879
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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