CC(C)C(C(=O)OCc1[nH]ccc1Cc1ccccc1)c1cc2cc(F)ccc2s1
SMILES: CC(C)C(C(=O)OCc1[nH]ccc1Cc1ccccc1)c1cc2cc(F)ccc2s1

Molecular Processing

Molecular formula
C25H24FNO2S
Molecular weight
421.54
Exact mass
421.1512
XLogP
6.44
TPSA
42.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
119.2

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→