cyanomethyl (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C22H14N2O2ClF Mutagenic:high Tumorigenic:none Reproductive Effective:high cyanomethyl (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	cyanomethyl (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H14N2O2ClF
Smiles	N#CCOC(c1c(CC/C2=C\c(c(F)ccc3)c3Cl)c2nc2ccccc12)=O
InChI	InChI=1S/C22H14ClFN2O2/c23-17-5-3-6-18(24)16(17)12-13-8-9-15-20(22(27)28-11-10-25)14-4-1-2-7-19(14)26-21(13)15/h1-7,12H,8-9,11H2
InChIK	UPJYFNVTKIMRAH-UHFFFAOYSA-N
TotalMolweight	392.816
Molweight	392.816
MonoisotopicMass	392.072783
CLogP	4.6129
CLogS	-6.169
H Acceptors	4
TotalSurfaceArea	290.1
Relative PSA	0.16398
PolarSurfaceArea	62.98
Druglikeness	-6.6684
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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1 - cyanomethyl (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - cyanomethyl (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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