SMILES:
N#Cc1ccc(N)nc1Molecular Processing
Molecular formula
C6H5N3
Molecular weight
119.13
Exact mass
119.0483
XLogP
0.54
TPSA
62.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.36
Supplementary Information
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