[Cl-].c1ccc([P+](Cc2csc(C3CCC3)n2)(c2ccccc2)c2ccccc2)cc1
名称: [(2-cyclobutyl-4-thiazolyl)methyl]triphenylphosphonium chloride
SMILES: [Cl-].c1ccc([P+](Cc2csc(C3CCC3)n2)(c2ccccc2)c2ccccc2)cc1

Molecular Processing

Molecular formula
C26H25ClNPS
Molecular weight
449.99
Exact mass
449.1134
XLogP
2.91
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.192
Molar refractivity
127.56

Supplementary Information

詳細情報を取得中…

3 件の反応に参加