CAS: 313369-12-9
Nombre: 7-fluoro-2,3,4,5-tetrahydro-1,5-benzothiazepine
SMILES:
Fc1ccc2c(c1)NCCCS2Molecular Processing
Molecular formula
C9H10FNS
Molecular weight
183.25
Exact mass
183.0518
XLogP
2.73
TPSA
12.03
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
50.23
Supplementary Information
InChIKey: PGXOPLPDWBIBGG-UHFFFAOYSA-N
Sinónimos
7-fluoro-2,3,4,5-tetrahydro-1,5-benzothiazepine313369-12-9SCHEMBL5520219PGXOPLPDWBIBGG-UHFFFAOYSA-NAKOS023559298EN300-172359
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