COC(=O)c1cc(C2=CCCC2(C)C)c(O)cc1F
名称: 66.43E
SMILES: COC(=O)c1cc(C2=CCCC2(C)C)c(O)cc1F

Molecular Processing

Molecular formula
C15H17FO3
Molecular weight
264.3
Exact mass
264.1162
XLogP
3.52
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
70.4

Supplementary Information

詳細情報を取得中…

6 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→