Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3cc(Br)ccc3F)CO2)cn1
SMILES: Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3cc(Br)ccc3F)CO2)cn1

Molecular Processing

Molecular formula
C17H18BrFN4OS
Molecular weight
425.33
Exact mass
424.0369
XLogP
3.36
TPSA
65.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
99.87

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→