이름: 5-cyano-2,2-dimethyl-pentanoic acid
SMILES:
CC(C)(CCCC#N)C(=O)OMolecular Processing
Molecular formula
C8H13NO2
Molecular weight
155.2
Exact mass
155.0946
XLogP
1.79
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
40.88
Supplementary Information
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