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

Formula:C25H15N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C25H15N2O4
Smiles	N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c1ccc(-c(cc2)ccc2C([O-])=O)o1
InChI	InChI=1S/C25H16N2O4/c26-15-20(24(28)27-21-10-9-16-3-1-2-4-19(16)13-21)14-22-11-12-23(31-22)17-5-7-18(8-6-17)25(29)30/h1-14H,(H,27,28)(H,29,30)/p-1
InChIK	MLYRHAXKPSVDHT-UHFFFAOYSA-M
TotalMolweight	407.404
Molweight	407.404
MonoisotopicMass	407.103183
CLogP	2.5307
CLogS	-6.849
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.98
Relative PSA	0.24998
PolarSurfaceArea	106.16
Druglikeness	-0.63042
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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