C=CCN1C(C)(c2cccc(Br)c2)COS1(=O)=O
SMILES: C=CCN1C(C)(c2cccc(Br)c2)COS1(=O)=O

Molecular Processing

Molecular formula
C12H14BrNO3S
Molecular weight
332.22
Exact mass
330.9878
XLogP
2.43
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
73.27

Supplementary Information

詳細情報を取得中…

10 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→