N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

Formula:C25H16N3O3F5 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
MolecularFormula	C25H16N3O3F5
Smiles	O=C(c1cc(-c(cc2)ccc2F)nc2ccccc12)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F
InChI	InChI=1S/C25H16F5N3O3/c26-16-8-5-14(6-9-16)21-12-19(18-3-1-2-4-20(18)32-21)23(34)33-31-13-15-7-10-17(35-24(27)28)11-22(15)36-25(29)30/h1-13,24-25H,(H,33,34)
InChIK	FMJRZBQLBZAPDB-UHFFFAOYSA-N
TotalMolweight	501.41
Molweight	501.41
MonoisotopicMass	501.111182
CLogP	5.7074
CLogS	-7.763
H Acceptors	6
H Donors	1
TotalSurfaceArea	356.86
Relative PSA	0.18769
PolarSurfaceArea	72.81
Druglikeness	1.5305
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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