CC(C)c1cc(Br)cc(C(C)C)c1N
SMILES: CC(C)c1cc(Br)cc(C(C)C)c1N

Molecular Processing

Molecular formula
C12H18BrN
Molecular weight
256.19
Exact mass
255.0623
XLogP
4.28
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.73

Supplementary Information

詳細情報を取得中…

34 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→