Molecule

ID:88590

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇BN₂O₃
Molecular Mass
272.10738
Exact Mass
272.13322281
Charge
0
InChI
InChI=1S/C14H17BN2O3/c1-13(2)14(3,4)20-15(19-13)11-7-5-10(6-8-11)12-17-16-9-18-12/h5-9H,1-4H3
InChIKey
YWMKIDKLUDAMTL-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ocnn1
Isomeric Smiles
B1(c2ccc(cc2)c2nnco2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6599
LogD (pH = 7.4)
2.6599
Log P
2.6599
Molar Refractivity
81.7403
Polarizability
29.388874
Polar Surface Area
57.38
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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