Molecule

ID:52686

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BN₂O₂
Molecular Mass
206.0493
Exact Mass
206.12265813
Charge
0
InChI
InChI=1S/C10H15BN2O2/c14-11(15)9-4-5-10(12-8-9)13-6-2-1-3-7-13/h4-5,8,14-15H,1-3,6-7H2
InChIKey
FPXBTJSTSXJJBK-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(nc1)N1CCCCC1)O
Isomeric Smiles
c1(cnc(cc1)N1CCCCC1)B(O)O
Calculated Properties
JChem
Acid pKa
8.732189
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8118826
LogD (pH = 7.4)
1.9895428
Log P
2.0128
Molar Refractivity
55.3307
Polarizability
22.254873
Polar Surface Area
56.59
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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