Molecule

ID:91495

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈BNO₂
Molecular Mass
243.10922
Exact Mass
243.14305922
Charge
0
InChI
InChI=1S/C14H18BNO2/c1-14(2)9-17-15(18-10-14)12-4-5-13-11(8-12)6-7-16(13)3/h4-8H,9-10H2,1-3H3
InChIKey
TWCRHUZTWUNJMB-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c1ccc(c2)B1OCC(CO1)(C)C
Isomeric Smiles
O1CC(COB1c1cc2c(cc1)n(cc2)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4257
LogD (pH = 7.4)
4.4257
Log P
4.4257
Molar Refractivity
67.207
Polarizability
29.16654
Polar Surface Area
23.39
Rotatable Bonds
1
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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