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

Formula:C22H15N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is a drug-like molecule.

MolName	[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H15N2O4Cl
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1
InChI	InChI=1S/C22H15ClN2O4/c23-18-8-6-16(7-9-18)22(27)29-19-4-1-3-15(12-19)11-17(13-24)21(26)25-14-20-5-2-10-28-20/h1-12H,14H2,(H,25,26)
InChIK	WUFXLGZNEBMSMU-UHFFFAOYSA-N
TotalMolweight	406.824
Molweight	406.824
MonoisotopicMass	406.072035
CLogP	3.9229
CLogS	-5.474
H Acceptors	6
H Donors	1
TotalSurfaceArea	315.03
Relative PSA	0.23874
PolarSurfaceArea	92.33
Druglikeness	-1.5501
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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