(4-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C27H18NO2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	(4-chlorophenyl)methyl (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H18NO2Cl3
Smiles	O=C(c1c(CC/C2=C\c(cc3)cc(Cl)c3Cl)c2nc2ccccc12)OCc(cc1)ccc1Cl
InChI	InChI=1S/C27H18Cl3NO2/c28-19-9-5-16(6-10-19)15-33-27(32)25-20-3-1-2-4-24(20)31-26-18(8-11-21(25)26)13-17-7-12-22(29)23(30)14-17/h1-7,9-10,12-14H,8,11,15H2
InChIK	KHGWDXJQXFPLBE-UHFFFAOYSA-N
TotalMolweight	494.804
Molweight	494.804
MonoisotopicMass	493.04031
CLogP	7.4903
CLogS	-8.202
H Acceptors	3
TotalSurfaceArea	352.64
Relative PSA	0.096444
PolarSurfaceArea	39.19
Druglikeness	-1.0484
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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