Cc1ccc(I)cc1C(O)c1c(C)cc(C(=O)O)cc1C
SMILES: Cc1ccc(I)cc1C(O)c1c(C)cc(C(=O)O)cc1C

Molecular Processing

Molecular formula
C17H17IO3
Molecular weight
396.22
Exact mass
396.0222
XLogP
4
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
90.83

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→