Molecule

ID:10046

General Information
Structure
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Molecular Formula
C₁₀H₉BO₂
Molecular Mass
171.98826
Exact Mass
172.06955993
Charge
0
InChI
InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
InChIKey
KPTRDYONBVUWPD-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc2c(c1)cccc2)O
Isomeric Smiles
c1ccc2c(c1)ccc(c2)B(O)O
Calculated Properties
JChem
Acid pKa
8.704878
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6417305
LogD (pH = 7.4)
2.6211052
Log P
2.642
Molar Refractivity
47.0537
Polarizability
21.112686
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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CAS 32316-92-0|(naphthalen-2-yl)boronic acid|Naphthalene-2-boronic acid|naphthalen-2-ylboronic acid|2-naphthylboronic acid|2-萘硼酸|2-Naphthylboronic acid|2-Naphthaleneboronic acid|2-萘基硼酸|2-Naph... | Molfinder