SMILES:
Cc1sc2cnccc2c1BrMolecular Processing
Molecular formula
C8H6BrNS
Molecular weight
228.11
Exact mass
226.9404
XLogP
3.37
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.06
Supplementary Information
詳細情報を取得中…
9 件の反応に参加→