CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C
Name: cholesterol chloroformate
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C28H45ClO2
Molecular weight
449.12
Exact mass
448.3108
XLogP
8.77
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
31
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
0.893
Molar refractivity
129.17

Supplementary Information

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