Molecule

ID:87554

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇BO₂
Molecular Mass
286.21678
Exact Mass
286.2104105
Charge
0
InChI
InChI=1S/C18H27BO2/c1-14(2)20-19(21-15(3)4)13-12-16-8-10-17(11-9-16)18(5,6)7/h8-11,14-15H,1-7H3
InChIKey
WNYBIDQHHFCWHD-UHFFFAOYSA-N
Canonic Smiles
CC(OB(OC(C)C)C#Cc1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
B(OC(C)C)(OC(C)C)C#Cc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.6386
LogD (pH = 7.4)
6.6386
Log P
6.6386
Molar Refractivity
80.7418
Polarizability
34.650505
Polar Surface Area
18.46
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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