cyanomethyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C23H16N2O4 Mutagenic:high Tumorigenic:none Reproductive Effective:high cyanomethyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	cyanomethyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C23H16N2O4
Smiles	N#CCOC(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O
InChI	InChI=1S/C23H16N2O4/c24-9-10-27-23(26)21-16-3-1-2-4-18(16)25-22-15(6-7-17(21)22)11-14-5-8-19-20(12-14)29-13-28-19/h1-5,8,11-12H,6-7,10,13H2
InChIK	ZSUOSHAUMULHRB-UHFFFAOYSA-N
TotalMolweight	384.39
Molweight	384.39
MonoisotopicMass	384.111008
CLogP	4.0175
CLogS	-5.83
H Acceptors	6
TotalSurfaceArea	288.59
Relative PSA	0.23414
PolarSurfaceArea	81.44
Druglikeness	-5.4225
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Aromatic Nitrogens	1
StereoCon

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