이름: 3-aminocrotononitrile
SMILES:
C/C(N)=C/C#NMolecular Processing
Molecular formula
C4H6N2
Molecular weight
82.11
Exact mass
82.0531
XLogP
0.37
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
23.56
Supplementary Information
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