Name: compound 12
SMILES:
CC1(C=C2Cc3c(cccc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2=O)CCCCC1Molecular Processing
Molecular formula
C31H40O
Molecular weight
428.66
Exact mass
428.3079
XLogP
8.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
136.59
Supplementary Information
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