O=C(O)C1CCN(c2ccncc2)CC1
SMILES: O=C(O)C1CCN(c2ccncc2)CC1

Molecular Processing

Molecular formula
C11H14N2O2
Molecular weight
206.25
Exact mass
206.1055
XLogP
1.38
TPSA
53.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
56.81

Supplementary Information

詳細情報を取得中…

36 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→