NCc1cnc2[nH]cc(Cl)c2c1
SMILES: NCc1cnc2[nH]cc(Cl)c2c1

Molecular Processing

Molecular formula
C8H8ClN3
Molecular weight
181.63
Exact mass
181.0407
XLogP
1.67
TPSA
54.7
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49

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→