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

Formula:C25H14N2O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	2-chloro-4-[5-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C25H14N2O4Cl
Smiles	N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c1ccc(-c(cc2)cc(Cl)c2C([O-])=O)o1
InChI	InChI=1S/C25H15ClN2O4/c26-22-13-17(6-9-21(22)25(30)31)23-10-8-20(32-23)12-18(14-27)24(29)28-19-7-5-15-3-1-2-4-16(15)11-19/h1-13H,(H,28,29)(H,30,31)/p-1
InChIK	MRNYMCXEWPLUOS-UHFFFAOYSA-M
TotalMolweight	441.849
Molweight	441.849
MonoisotopicMass	441.06421
CLogP	3.1367
CLogS	-7.585
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.4
Relative PSA	0.23842
PolarSurfaceArea	106.16
Druglikeness	-0.56833
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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

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