NC1(c2ccc(Br)cc2)CC2(C1)OCCO2
名称: XXXV
SMILES: NC1(c2ccc(Br)cc2)CC2(C1)OCCO2

Molecular Processing

Molecular formula
C12H14BrNO2
Molecular weight
284.15
Exact mass
283.0208
XLogP
2.14
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.88

Supplementary Information

詳細情報を取得中…

8 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→