N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-nitrobenzamide

Formula:C14H11N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-nitrobenzamide
MolecularFormula	C14H11N3O4
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C/C=C/c1ccco1)=O)=O
InChI	InChI=1S/C14H11N3O4/c18-14(11-5-7-12(8-6-11)17(19)20)16-15-9-1-3-13-4-2-10-21-13/h1-10H,(H,16,18)
InChIK	JSTCMLMHNLIXLM-UHFFFAOYSA-N
TotalMolweight	285.258
Molweight	285.258
MonoisotopicMass	285.074957
CLogP	1.487
CLogS	-4.155
H Acceptors	7
H Donors	1
TotalSurfaceArea	226.85
Relative PSA	0.35504
PolarSurfaceArea	100.42
Druglikeness	-0.87122
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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