N#Cc1c(N)nc(SCc2csc(Nc3ccc(F)c(Cl)c3)n2)c(C#N)c1-c1ccc(OCCO)nc1
SMILES: N#Cc1c(N)nc(SCc2csc(Nc3ccc(F)c(Cl)c3)n2)c(C#N)c1-c1ccc(OCCO)nc1

Molecular Processing

Molecular formula
C24H17ClFN7O2S2
Molecular weight
554.03
Exact mass
553.0558
XLogP
5.13
TPSA
153.76
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
140.26

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→