O=NN1CCCSc2ccc(F)cc21
Nombre: 7-fluoro-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine
SMILES: O=NN1CCCSc2ccc(F)cc21

Molecular Processing

Molecular formula
C9H9FN2OS
Molecular weight
212.25
Exact mass
212.042
XLogP
2.81
TPSA
32.67
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.88

Supplementary Information

InChIKey: YJFVFJABOKNOIF-UHFFFAOYSA-N
Sinónimos
SCHEMBL5517860YJFVFJABOKNOIF-UHFFFAOYSA-N7-fluoro-5-nitroso-2,3,4, 5-tetrahydro-1,5-benzothiazepine7-fluoro-5-nitroso-2,3,4,5-tetrahydro-1,5-benzothiazepine
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