Molecule

ID:70712

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉BN₂O₂
Molecular Mass
270.13456
Exact Mass
270.15395826
Charge
0
InChI
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-10-17-18(11-12)13-8-6-5-7-9-13/h5-11H,1-4H3
InChIKey
XPAJFLOIPDXRRD-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cnn(c1)c1ccccc1
Isomeric Smiles
n1(ncc(c1)B1OC(C(O1)(C)C)(C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8559866
LogD (pH = 7.4)
3.856
Log P
3.856
Molar Refractivity
74.0748
Polarizability
31.096073
Polar Surface Area
36.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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