N#Cc1n[nH]cc1Br
SMILES: N#Cc1n[nH]cc1Br

Molecular Processing

Molecular formula
C4H2BrN3
Molecular weight
171.98
Exact mass
170.9432
XLogP
1.04
TPSA
52.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
31

Supplementary Information

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