CCCCNc1cc(C(=O)OC)cc(Br)c1OC
SMILES: CCCCNc1cc(C(=O)OC)cc(Br)c1OC

Molecular Processing

Molecular formula
C13H18BrNO3
Molecular weight
316.2
Exact mass
315.047
XLogP
3.46
TPSA
47.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
75.43

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→