Molecule

ID:87265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BO₂S
Molecular Mass
210.1009
Exact Mass
210.08858112
Charge
0
InChI
InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3
InChIKey
FFZHICFAHSDFKZ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccs1
Isomeric Smiles
s1c(ccc1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4943
LogD (pH = 7.4)
3.4943
Log P
3.4943
Molar Refractivity
51.9788
Polarizability
22.664093
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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