Cc1nc2ncnn2c(N)c1C#Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
SMILES: Cc1nc2ncnn2c(N)c1C#Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1

Molecular Processing

Molecular formula
C21H16ClN7O
Molecular weight
417.86
Exact mass
417.1105
XLogP
3.71
TPSA
110.23
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
116.45

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→