이름: 5-cyanovalerate
SMILES:
N#CCCCCC(=O)[O-]Molecular Processing
Molecular formula
C6H8NO2-
Molecular weight
126.13
Exact mass
126.0561
XLogP
-0.18
TPSA
63.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
29.09
Supplementary Information
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