Molecule

ID:87715

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BN₂O₃
Molecular Mass
222.0487
Exact Mass
222.11757275
Charge
0
InChI
InChI=1S/C10H15BN2O3/c1-10(2,3)13-9(14)7-4-8(11(15)16)6-12-5-7/h4-6,15-16H,1-3H3,(H,13,14)
InChIKey
FOJHBAIYLMKAIB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cncc(c1)B(O)O)NC(C)(C)C
Isomeric Smiles
n1cc(cc(c1)C(=O)NC(C)(C)C)B(O)O
Calculated Properties
JChem
Acid pKa
8.240656
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.058197603
LogD (pH = 7.4)
0.0010344621
Log P
0.0593
Molar Refractivity
56.2273
Polarizability
22.859097
Polar Surface Area
82.45
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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