(Z)-1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C10H7N5O3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C10H7N5O3F2
Smiles	[O-][N+](c(cc1)cc(/C=N\n2cnnc2)c1OC(F)F)=O
InChI	InChI=1S/C10H7F2N5O3/c11-10(12)20-9-2-1-8(17(18)19)3-7(9)4-15-16-5-13-14-6-16/h1-6,10H
InChIK	ZDZCAJINHKJYMZ-UHFFFAOYSA-N
TotalMolweight	283.194
Molweight	283.194
MonoisotopicMass	283.051696
CLogP	0.4761
CLogS	-5.392
H Acceptors	8
TotalSurfaceArea	203.37
Relative PSA	0.39701
PolarSurfaceArea	98.12
Druglikeness	-4.5865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	3
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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