O=C1c2cc(Br)ccc2OCc2ccsc21
SMILES: O=C1c2cc(Br)ccc2OCc2ccsc21

Molecular Processing

Molecular formula
C12H7BrO2S
Molecular weight
295.16
Exact mass
293.935
XLogP
3.63
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
66.23

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→