CC1(C)OCC(COc2ccc(N)cc2N)O1
SMILES: CC1(C)OCC(COc2ccc(N)cc2N)O1

Molecular Processing

Molecular formula
C12H18N2O3
Molecular weight
238.29
Exact mass
238.1317
XLogP
1.38
TPSA
79.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.67

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→