2-(2-chlorophenyl)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]quinoline-4-carboxamide

Formula:C28H16N3O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(2-chlorophenyl)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]quinoline-4-carboxamide is not a drug-like molecule.

MolName	2-(2-chlorophenyl)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]quinoline-4-carboxamide
MolecularFormula	C28H16N3O2Cl
Smiles	O=C(c1cc(-c(cccc2)c2Cl)nc2ccccc12)N/N=C(\c1cccc2cccc3c12)/C3=O
InChI	InChI=1S/C28H16ClN3O2/c29-22-13-3-1-10-18(22)24-15-21(17-9-2-4-14-23(17)30-24)28(34)32-31-26-19-11-5-7-16-8-6-12-20(25(16)19)27(26)33/h1-15H,(H,32,34)
InChIK	VWCDHLXRNAXFRI-UHFFFAOYSA-N
TotalMolweight	461.907
Molweight	461.907
MonoisotopicMass	461.093104
CLogP	6.5061
CLogS	-9.137
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.59
Relative PSA	0.18046
PolarSurfaceArea	71.42
Druglikeness	4.2245
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Aromatic Nitrogens	1
StereoCon

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