COc1c(F)ccc2c(=O)c(C(=O)OB(F)F)cn(C3CC3)c12
名称: (1-cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl difluoroborate
SMILES: COc1c(F)ccc2c(=O)c(C(=O)OB(F)F)cn(C3CC3)c12

Molecular Processing

Molecular formula
C14H11BF3NO4
Molecular weight
325.05
Exact mass
325.0733
XLogP
2.56
TPSA
57.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.37

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→