Molecule

ID:64808

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀BNO₂
Molecular Mass
150.9708
Exact Mass
151.08045897
Charge
0
InChI
InChI=1S/C7H10BNO2/c1-10-8(11-2)7-5-3-4-6-9-7/h3-6H,1-2H3
InChIKey
ITSIDKYMJQVPQQ-UHFFFAOYSA-N
Canonic Smiles
COB(c1ccccn1)OC
Isomeric Smiles
B(c1ncccc1)(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4821577
LogD (pH = 7.4)
2.4822981
Log P
2.4823
Molar Refractivity
37.7247
Polarizability
16.46687
Polar Surface Area
31.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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