Molecule

ID:77973

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BN₂O₂
Molecular Mass
274.16632
Exact Mass
274.18525839
Charge
0
InChI
InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-11-12)18-9-5-6-10-18/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
HGBBKKWVSQBIMM-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(nc1)N1CCCC1
Isomeric Smiles
n1cc(ccc1N1CCCC1)B1OC(C)(C)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6856892
LogD (pH = 7.4)
3.8740566
Log P
3.8771
Molar Refractivity
75.8393
Polarizability
30.877768
Polar Surface Area
34.59
Rotatable Bonds
2
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
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References
Bioactivity
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