4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]benzoate

Formula:C16H11N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]benzoate is a drug-like molecule.

MolName	4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]benzoate
MolecularFormula	C16H11N2O4
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)ccc1C([O-])=O
InChI	InChI=1S/C16H12N2O4/c17-9-13(15(19)18-10-14-2-1-7-22-14)8-11-3-5-12(6-4-11)16(20)21/h1-8H,10H2,(H,18,19)(H,20,21)/p-1
InChIK	WCUILGUMYVBWGB-UHFFFAOYSA-M
TotalMolweight	295.273
Molweight	295.273
MonoisotopicMass	295.071883
CLogP	-0.7045
CLogS	-3.281
H Acceptors	6
H Donors	1
TotalSurfaceArea	237.38
Relative PSA	0.33486
PolarSurfaceArea	106.16
Druglikeness	-1.3609
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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