이름: compound 14
SMILES:
CC1(CC2Cc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cccc3C2O)CCCCC1Molecular Processing
Molecular formula
C31H44O
Molecular weight
432.69
Exact mass
432.3392
XLogP
8.51
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.613
Molar refractivity
137.24
Supplementary Information
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