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

Formula:C20H12N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	2-chloro-5-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C20H12N2O5Cl
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c1ccc(-c(cc2)cc(C([O-])=O)c2Cl)o1
InChI	InChI=1S/C20H13ClN2O5/c21-17-5-3-12(9-16(17)20(25)26)18-6-4-14(28-18)8-13(10-22)19(24)23-11-15-2-1-7-27-15/h1-9H,11H2,(H,23,24)(H,25,26)/p-1
InChIK	JXZHZIUSFSDRIQ-UHFFFAOYSA-M
TotalMolweight	395.777
Molweight	395.777
MonoisotopicMass	395.043475
CLogP	0.8404
CLogS	-5.477
H Acceptors	7
H Donors	1
TotalSurfaceArea	302.25
Relative PSA	0.30968
PolarSurfaceArea	119.3
Druglikeness	-0.4224
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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