[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromobenzoate

Formula:C16H11N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromobenzoate is a drug-like molecule.

MolName	[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-bromobenzoate
MolecularFormula	C16H11N4O2Br
Smiles	O=C(c(cc1)ccc1Br)Oc1ccc(/C=N\n2cnnc2)cc1
InChI	InChI=1S/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H
InChIK	NIBNXEQFELWRGG-UHFFFAOYSA-N
TotalMolweight	371.193
Molweight	371.193
MonoisotopicMass	370.006537
CLogP	3.384
CLogS	-6.614
H Acceptors	6
TotalSurfaceArea	250.64
Relative PSA	0.25279
PolarSurfaceArea	69.37
Druglikeness	1.2476
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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