Molecule

ID:88945

General Information
Structure
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)12-7-5-8-13(11-12)18-10-6-9-17-18/h5-11H,1-4H3
InChIKey
GVSCNAOZDQCWJJ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1)n1cccn1
Isomeric Smiles
B1(c2cc(ccc2)n2cccn2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8559427
LogD (pH = 7.4)
3.8559992
Log P
3.856
Molar Refractivity
74.0748
Polarizability
31.089397
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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