CC(C)(C)OC(=O)NC(C#N)c1ccccc1
SMILES: CC(C)(C)OC(=O)NC(C#N)c1ccccc1

Molecular Processing

Molecular formula
C13H16N2O2
Molecular weight
232.28
Exact mass
232.1212
XLogP
2.78
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.17

Supplementary Information

詳細情報を取得中…

10 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→