Molecule

ID:78190

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅BN₂O₂S
Molecular Mass
262.1357
Exact Mass
262.09472913
Charge
0
InChI
InChI=1S/C12H15BN2O2S/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
InChIKey
KISHNZJGTMYYKH-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc2c(c1)nsn2
Isomeric Smiles
B1(c2cc3nsnc3cc2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.975
LogD (pH = 7.4)
3.975
Log P
3.975
Molar Refractivity
66.1955
Polarizability
28.467415
Polar Surface Area
44.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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