4-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate

Formula:C20H13N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	4-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C20H13N2O5
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c1ccc(-c(cc2)ccc2C([O-])=O)o1
InChI	InChI=1S/C20H14N2O5/c21-11-15(19(23)22-12-17-2-1-9-26-17)10-16-7-8-18(27-16)13-3-5-14(6-4-13)20(24)25/h1-10H,12H2,(H,22,23)(H,24,25)/p-1
InChIK	FPQWTEQBNIERRI-UHFFFAOYSA-M
TotalMolweight	361.332
Molweight	361.332
MonoisotopicMass	361.082448
CLogP	0.2344
CLogS	-4.741
H Acceptors	7
H Donors	1
TotalSurfaceArea	286.83
Relative PSA	0.32633
PolarSurfaceArea	119.3
Druglikeness	-0.49119
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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