名称: compound 436
SMILES:
CN1CC(=O)N(CCc2ccccc2Br)C1=OMolecular Processing
Molecular formula
C12H13BrN2O2
Molecular weight
297.15
Exact mass
296.016
XLogP
1.89
TPSA
40.62
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.59
Supplementary Information
詳細情報を取得中…
8 件の反応に参加→