COCCOCOc1cc2ccc(-c3ccc(C(=O)OC)cc3)cc2cc1C12CC3CC(CC(C3)C1)C2
SMILES: COCCOCOc1cc2ccc(-c3ccc(C(=O)OC)cc3)cc2cc1C12CC3CC(CC(C3)C1)C2

Molecular Processing

Molecular formula
C32H36O5
Molecular weight
500.64
Exact mass
500.2563
XLogP
6.76
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.469
Molar refractivity
143.9

Supplementary Information

詳細情報を取得中…

2 件の反応に参加