Molecule

ID:77930

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁BO₂S
Molecular Mass
300.22344
Exact Mass
300.13553131
Charge
0
InChI
InChI=1S/C17H21BO2S/c1-16(2)17(3,4)20-18(19-16)14-9-7-13(8-10-14)12-15-6-5-11-21-15/h5-11H,12H2,1-4H3
InChIKey
OPJUSDABOPHYPQ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)Cc1cccs1
Isomeric Smiles
B1(c2ccc(cc2)Cc2cccs2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.8037
LogD (pH = 7.4)
5.8037
Log P
5.8037
Molar Refractivity
82.4942
Polarizability
34.008137
Polar Surface Area
18.46
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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