SMILES:
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CClMolecular Processing
Molecular formula
C21H29ClO3
Molecular weight
364.91
Exact mass
364.1805
XLogP
4.06
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
97.39
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→