Molecule

ID:91494

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)13-8-11-6-4-5-7-12(11)16(13)3/h4-8H,9-10H2,1-3H3
InChIKey
OMVAPCDTEBSPIA-UHFFFAOYSA-N
Canonic Smiles
Cn1c(cc2c1cccc2)B1OCC(CO1)(C)C
Isomeric Smiles
B1(c2cc3c(cccc3)n2C)OCC(CO1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3684
LogD (pH = 7.4)
4.3684
Log P
4.3684
Molar Refractivity
66.4603
Polarizability
29.173868
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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