Molecule

ID:32916

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆BNO₂
Molecular Mass
205.06124
Exact Mass
205.12740916
Charge
0
InChI
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5-8H,1-4H3
InChIKey
NLTIETZTDSJANS-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccncc1
Isomeric Smiles
c1(B2OC(C(O2)(C)C)(C)C)ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5880868
LogD (pH = 7.4)
2.5884948
Log P
2.5885
Molar Refractivity
53.5562
Polarizability
23.10252
Polar Surface Area
31.35
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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