이름: compound 13
SMILES:
CC1(CC2Cc3c(cccc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2=O)CCCCC1Molecular Processing
Molecular formula
C31H42O
Molecular weight
430.68
Exact mass
430.3236
XLogP
8.66
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.581
Molar refractivity
136.61
Supplementary Information
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