Molecule

ID:65641

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂BNO₅
Molecular Mass
295.13918
Exact Mass
295.15910321
Charge
0
InChI
InChI=1S/C14H22BNO5/c1-13(2)14(3,4)21-15(20-13)9-8-10(17-5)12(19-7)16-11(9)18-6/h8H,1-7H3
InChIKey
AMVMDQKWXGAXKM-UHFFFAOYSA-N
Canonic Smiles
COc1nc(OC)c(cc1B1OC(C(O1)(C)C)(C)C)OC
Isomeric Smiles
c1(c(nc(c(c1)OC)OC)OC)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.2275972
LogD (pH = 7.4)
3.2275999
Log P
3.2276
Molar Refractivity
73.5728
Polarizability
30.697458
Polar Surface Area
59.04
Rotatable Bonds
4
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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