COc1c(Cl)ccc2oc(C(=O)O)c(C)c12
SMILES: COc1c(Cl)ccc2oc(C(=O)O)c(C)c12

Molecular Processing

Molecular formula
C11H9ClO4
Molecular weight
240.64
Exact mass
240.0189
XLogP
3.1
TPSA
59.67
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
59.47

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→