Cc1c(Cl)c(C(=O)O)cc([N+](=O)[O-])c1Cl
名称: 2,4-dichloro-3-methyl-5-nitrobenzoic acid
SMILES: Cc1c(Cl)c(C(=O)O)cc([N+](=O)[O-])c1Cl

Molecular Processing

Molecular formula
C8H5Cl2NO4
Molecular weight
250.04
Exact mass
248.9596
XLogP
2.91
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
54.81

Supplementary Information

詳細情報を取得中…

5 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→