Molecule

ID:75906

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈BNO₃
Molecular Mass
305.22012
Exact Mass
305.21622416
Charge
0
InChI
InChI=1S/C17H28BNO3/c1-16(2)17(3,4)22-18(21-16)14-8-10-15(11-9-14)20-13-7-12-19(5)6/h8-11H,7,12-13H2,1-6H3
InChIKey
ONRJKPSMQGEPHV-UHFFFAOYSA-N
Canonic Smiles
CN(CCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
O(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CCCN(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.19173878
LogD (pH = 7.4)
1.8208742
Log P
3.6789
Molar Refractivity
85.0608
Polarizability
35.416817
Polar Surface Area
30.93
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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