이름: hydroxybenzothiazole hydrate
SMILES:
O.Oc1nc2ccccc2s1Molecular Processing
Molecular formula
C7H7NO2S
Molecular weight
169.2
Exact mass
169.0197
XLogP
1.18
TPSA
64.62
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0
Molar refractivity
44.9
Supplementary Information
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