CNc1nc(Cl)nc(Cl)n1
SMILES: CNc1nc(Cl)nc(Cl)n1

Molecular Processing

Molecular formula
C4H4Cl2N4
Molecular weight
179.01
Exact mass
177.9813
XLogP
1.22
TPSA
50.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
39.39

Supplementary Information

詳細情報を取得中…

21 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→