Molecule

ID:32917

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BN₂O₂
Molecular Mass
206.0493
Exact Mass
206.12265813
Charge
0
InChI
InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3
InChIKey
WSRGGSAGSUEJKQ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cncnc1
Isomeric Smiles
c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7671973
LogD (pH = 7.4)
1.7672
Log P
1.7672
Molar Refractivity
52.3774
Polarizability
22.215466
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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