(Z)-1-(4-bromophenyl)-N-(1,2,4-triazol-1-yl)methanimine

Formula:C9H7N4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-bromophenyl)-N-(1,2,4-triazol-1-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(4-bromophenyl)-N-(1,2,4-triazol-1-yl)methanimine
MolecularFormula	C9H7N4Br
Smiles	Brc1ccc(/C=N\n2ncnc2)cc1
InChI	InChI=1S/C9H7BrN4/c10-9-3-1-8(2-4-9)5-12-14-7-11-6-13-14/h1-7H
InChIK	DGFOBXHNKWDKRC-UHFFFAOYSA-N
TotalMolweight	251.087
Molweight	251.087
MonoisotopicMass	249.985407
CLogP	2.406
CLogS	-4.087
H Acceptors	4
TotalSurfaceArea	163.13
Relative PSA	0.24716
PolarSurfaceArea	43.07
Druglikeness	1.7485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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