Molecule

ID:107127

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆BNO
Molecular Mass
225.09394
Exact Mass
225.13249454
Charge
0
InChI
InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChIKey
BLZVCIGGICSWIG-UHFFFAOYSA-N
Canonic Smiles
NCCOB(c1ccccc1)c1ccccc1
Isomeric Smiles
NCCOB(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36753544
LogD (pH = 7.4)
1.6236547
Log P
3.7055
Molar Refractivity
65.9453
Polarizability
27.877205
Polar Surface Area
35.25
Rotatable Bonds
5
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
References
Bioactivity
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