N#Cc1ccc(C(=O)O)cc1C(=O)O
名称: 4-cyanoisophthalic acid
SMILES: N#Cc1ccc(C(=O)O)cc1C(=O)O

Molecular Processing

Molecular formula
C9H5NO4
Molecular weight
191.14
Exact mass
191.0219
XLogP
0.95
TPSA
98.39
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.08

Supplementary Information

詳細情報を取得中…

6 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→