Molecule

ID:92510

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈BNO₂
Molecular Mass
301.23142
Exact Mass
301.22130954
Charge
0
InChI
InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-8-15(9-11-16)14-20-12-6-5-7-13-20/h8-11H,5-7,12-14H2,1-4H3
InChIKey
HJKVRMHVLINDRH-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)CN1CCCCC1
Isomeric Smiles
O1C(C(OB1c1ccc(cc1)CN1CCCCC1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2578548
LogD (pH = 7.4)
3.0102358
Log P
4.5092
Molar Refractivity
86.3978
Polarizability
35.8688
Polar Surface Area
21.7
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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