Cc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)O)c(F)c4)cc32)cc1
SMILES: Cc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)O)c(F)c4)cc32)cc1

Molecular Processing

Molecular formula
C27H21FO2S
Molecular weight
428.53
Exact mass
428.1246
XLogP
6.55
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
123.98

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→