SMILES:
Cn1ccc(CN)n1Molecular Processing
Molecular formula
C5H9N3
Molecular weight
111.15
Exact mass
111.0796
XLogP
-0.12
TPSA
43.84
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
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
0.4
Molar refractivity
31.1
Supplementary Information
Загрузка подробностей…
Участвует в 13 реакциях→