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

Formula:C13H8N5O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:high (Z)-1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C13H8N5O3Br
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\n2cnnc2)o1)=O
InChI	InChI=1S/C13H8BrN5O3/c14-12-5-9(19(20)21)1-3-11(12)13-4-2-10(22-13)6-17-18-7-15-16-8-18/h1-8H
InChIK	XZDNFGFNLDWJAV-UHFFFAOYSA-N
TotalMolweight	362.143
Molweight	362.143
MonoisotopicMass	360.981051
CLogP	1.9708
CLogS	-7.064
H Acceptors	8
TotalSurfaceArea	236.25
Relative PSA	0.35915
PolarSurfaceArea	102.03
Druglikeness	-0.88631
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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

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