CC(=O)OCC1OC(n2c(C(F)(F)F)nc3c(O)ncnc32)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OCC1OC(n2c(C(F)(F)F)nc3c(O)ncnc32)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C17H17F3N4O8
Molecular weight
462.34
Exact mass
462.0998
XLogP
0.87
TPSA
151.96
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
93.64

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→