Name: Acanthoic acid
SMILES:
C=C[C@@]1(C)CC=C2C(CCC3[C@](C)(C(=O)O)CCC[C@@]23C)C1Molecular Processing
Molecular formula
C20H30O2
Molecular weight
302.46
Exact mass
302.2246
XLogP
5.21
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
89.54
Supplementary Information
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