이름: 44
SMILES:
CC(C)(C)OC(=O)/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1Molecular Processing
Molecular formula
C29H34O3
Molecular weight
430.59
Exact mass
430.2508
XLogP
7.15
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
130.13
Supplementary Information
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