CC(C)(C)C1CCN(CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.O=S(=O)(O)CCO
SMILES: CC(C)(C)C1CCN(CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.O=S(=O)(O)CCO

Molecular Processing

Molecular formula
C22H29F6NO4S
Molecular weight
517.53
Exact mass
517.1721
XLogP
4.7
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.636
Molar refractivity
115.44

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→