CCOC(=O)c1oc2ccc(Cl)c(O)c2c1C
SMILES: CCOC(=O)c1oc2ccc(Cl)c(O)c2c1C

Molecular Processing

Molecular formula
C12H11ClO4
Molecular weight
254.67
Exact mass
254.0346
XLogP
3.28
TPSA
59.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
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
0.25
Molar refractivity
63.58

Supplementary Information

詳細情報を取得中…

7 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→