4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3,5,6-trichloropyridine-2-carboxylic acid

Formula:C15H8N3O4Cl3F4 Mutagenic:high Tumorigenic:none Reproductive Effective:low 4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3,5,6-trichloropyridine-2-carboxylic acid is not a drug-like molecule.

MolName	4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3,5,6-trichloropyridine-2-carboxylic acid
MolecularFormula	C15H8N3O4Cl3F4
Smiles	OC(c(nc(c(Cl)c1N/N=C\c(ccc(OC(F)F)c2)c2OC(F)F)Cl)c1Cl)=O
InChI	InChI=1S/C15H8Cl3F4N3O4/c16-8-10(9(17)12(18)24-11(8)13(26)27)25-23-4-5-1-2-6(28-14(19)20)3-7(5)29-15(21)22/h1-4,14-15H,(H,24,25)(H,26,27)
InChIK	GEDDOLAQZQXCDK-UHFFFAOYSA-N
TotalMolweight	476.597
Molweight	476.597
MonoisotopicMass	474.95165
CLogP	5.4629
CLogS	-5.606
H Acceptors	7
H Donors	2
TotalSurfaceArea	308.76
Relative PSA	0.25936
PolarSurfaceArea	93.04
Druglikeness	-0.88877
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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