(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C10H7N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C10H7N4O2Br
Smiles	Brc1c(/C=N\n2cnnc2)cc2OCOc2c1
InChI	InChI=1S/C10H7BrN4O2/c11-8-2-10-9(16-6-17-10)1-7(8)3-14-15-4-12-13-5-15/h1-5H,6H2
InChIK	FIYMUJBDVSNPOP-UHFFFAOYSA-N
TotalMolweight	295.096
Molweight	295.096
MonoisotopicMass	293.975237
CLogP	2.0649
CLogS	-5.855
H Acceptors	6
TotalSurfaceArea	183.39
Relative PSA	0.32892
PolarSurfaceArea	61.53
Druglikeness	1.5456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(1,2,4-triazol-4-yl)methanimine

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