Molecule

ID:125106

General Information
Structure
MolImage
Molecular Formula
C₄H₆BN
Molecular Mass
78.90814
Exact Mass
79.0593296
Charge
0
InChI
InChI=1S/C4H6BN/c1-2-4-6-5-3-1/h1-6H
InChIKey
OGZZEGWWYQKMSO-UHFFFAOYSA-N
Canonic Smiles
N1BC=CC=C1
Isomeric Smiles
C1=CBNC=C1
Calculated Properties
JChem
Acid pKa
14.921342
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.0256
LogD (pH = 7.4)
1.0256
Log P
1.0256
Molar Refractivity
32.0295
Polarizability
10.064973
Polar Surface Area
15.79
Rotatable Bonds
0
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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