CCOC(=O)c1cc(N)n(-c2ccccc2)n1
SMILES: CCOC(=O)c1cc(N)n(-c2ccccc2)n1

Molecular Processing

Molecular formula
C12H13N3O2
Molecular weight
231.26
Exact mass
231.1008
XLogP
1.63
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
63.93

Supplementary Information

詳細情報を取得中…

210 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→