CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COC1=CC=C(C=C1)F)O
Название: 7-[[5-(4-fluorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid
SMILES: CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COC1=CC=C(C=C1)F)O

Molecular Processing

Molecular formula
C19H30FNO6S
Molecular weight
419.52
Exact mass
419.1778
XLogP
2.64
TPSA
104.14
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
104.27

Supplementary Information

InChIKey: LIILGFYPUDQVOG-UHFFFAOYSA-N
Синонимы
CHEMBL3250173SCHEMBL11729925LIILGFYPUDQVOG-UHFFFAOYSA-N7-{N-[4-hydroxy-5-(4-fluorophenoxy)-pentyl]methanesulfonamido}heptanoic acid7-{N-[4-hydroxy-5-(4-fluorophenoxy)pentyl]methanesulfonamido }heptanoic acid
Источник →
Участвует в 7 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→