COC1=CC(=CC=C1)SC2=CC=CC(=C2C#N)F
Nom: 2-fluoro-6-(3-methoxyphenyl)sulfanylbenzonitrile
SMILES: COC1=CC(=CC=C1)SC2=CC=CC(=C2C#N)F

Molecular Processing

Molecular formula
C14H10FNOS
Molecular weight
259.31
Exact mass
259.0467
XLogP
3.86
TPSA
33.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
68.23

Supplementary Information

InChIKey: DHDWUOHFLGWVNS-UHFFFAOYSA-N
Synonymes
SCHEMBL8410613DHDWUOHFLGWVNS-UHFFFAOYSA-NAKOS0173227402-Fluoro-6-[(3 -methoxyphenyl)thio]benzonitrile
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→