CCc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1
SMILES: CCc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

Molecular Processing

Molecular formula
C15H12F3NO3
Molecular weight
311.26
Exact mass
311.0769
XLogP
3.01
TPSA
59.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
72.69

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→