cyanomethyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C20H14N2O3 Mutagenic:high Tumorigenic:none Reproductive Effective:high cyanomethyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	cyanomethyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C20H14N2O3
Smiles	N#CCOC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O
InChI	InChI=1S/C20H14N2O3/c21-9-11-25-20(23)18-15-5-1-2-6-17(15)22-19-13(7-8-16(18)19)12-14-4-3-10-24-14/h1-6,10,12H,7-8,11H2
InChIK	MBZLGTQWQRKHRJ-UHFFFAOYSA-N
TotalMolweight	330.342
Molweight	330.342
MonoisotopicMass	330.100443
CLogP	3.0948
CLogS	-4.801
H Acceptors	5
TotalSurfaceArea	258.02
Relative PSA	0.23905
PolarSurfaceArea	76.12
Druglikeness	-5.6026
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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