2-(4-chlorophenyl)-N-[(Z)-[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methylideneamino]quinoline-4-carboxamide

Formula:C28H18N3O3Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(4-chlorophenyl)-N-[(Z)-[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.

MolName	2-(4-chlorophenyl)-N-[(Z)-[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methylideneamino]quinoline-4-carboxamide
MolecularFormula	C28H18N3O3Cl3
Smiles	O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c1ccc(COc(cc2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C28H18Cl3N3O3/c29-18-7-5-17(6-8-18)27-14-23(22-3-1-2-4-26(22)33-27)28(35)34-32-15-20-9-10-21(37-20)16-36-19-11-12-24(30)25(31)13-19/h1-15H,16H2,(H,34,35)
InChIK	ZMGNMXBFGQGELJ-UHFFFAOYSA-N
TotalMolweight	550.828
Molweight	550.828
MonoisotopicMass	549.041373
CLogP	7.6766
CLogS	-9.46
H Acceptors	6
H Donors	1
TotalSurfaceArea	399.58
Relative PSA	0.17791
PolarSurfaceArea	76.72
Druglikeness	6.2818
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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