SMILES:
CON=C1CCC2C3C(C)CC4=C(CCC(OC)(OC)C4)C3CCC12CMolecular Processing
Molecular formula
C22H35NO3
Molecular weight
361.53
Exact mass
361.2617
XLogP
4.94
TPSA
40.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.864
Molar refractivity
102.9
Supplementary Information
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