COc1cc(N2CCN(C(=O)CCl)C(C)C2)c(F)cc1Cl
SMILES: COc1cc(N2CCN(C(=O)CCl)C(C)C2)c(F)cc1Cl

Molecular Processing

Molecular formula
C14H17Cl2FN2O2
Molecular weight
335.21
Exact mass
334.0651
XLogP
2.76
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.07

Supplementary Information

詳細情報を取得中…

8 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→