CCOC(=O)/C=C/c1ccc(C=O)cn1
SMILES: CCOC(=O)/C=C/c1ccc(C=O)cn1

Molecular Processing

Molecular formula
C11H11NO3
Molecular weight
205.21
Exact mass
205.0739
XLogP
1.47
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
55.29

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→