Name: acid 99
SMILES:
CCC[C@@H](C)CCC(=O)OMolecular Processing
Molecular formula
C8H16O2
Molecular weight
144.21
Exact mass
144.115
XLogP
2.29
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
40.94
Supplementary Information
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