SMILES:
CC12CCC(=O)C=C1CCC1C2=CCC2(C)C1CCC2(OC=O)C(=O)CBrMolecular Processing
Molecular formula
C22H27BrO4
Molecular weight
435.36
Exact mass
434.1093
XLogP
4.31
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
105.37
Supplementary Information
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