O=C1OC(O)(c2ccccc2)C2(Cl)CCCCC12
SMILES: O=C1OC(O)(c2ccccc2)C2(Cl)CCCCC12

Molecular Processing

Molecular formula
C14H15ClO3
Molecular weight
266.72
Exact mass
266.071
XLogP
2.56
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.97

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→