[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C29H20N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C29H20N3O3Cl
Smiles	N#Cc(ccc(Cl)c1)c1NC(COC(c1c(CC/C2=C/c3ccccc3)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C29H20ClN3O3/c30-21-12-10-20(16-31)25(15-21)32-26(34)17-36-29(35)27-22-8-4-5-9-24(22)33-28-19(11-13-23(27)28)14-18-6-2-1-3-7-18/h1-10,12,14-15H,11,13,17H2,(H,32,34)
InChIK	GMIRMZOOAVXXPT-UHFFFAOYSA-N
TotalMolweight	493.949
Molweight	493.949
MonoisotopicMass	493.119319
CLogP	5.4882
CLogS	-7.454
H Acceptors	6
H Donors	1
TotalSurfaceArea	372.72
Relative PSA	0.19336
PolarSurfaceArea	92.08
Druglikeness	-2.38
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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