이름: Cholest-5-en-3β-yloxyacetic acid
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C29H48O3
Molecular weight
444.7
Exact mass
444.3603
XLogP
7.5
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.897
Molar refractivity
130.42
Supplementary Information
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