Molecule

ID:88657

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)7-4-3-5-9-6-7/h3-6H,1-2H3

InChIKey

WBKLCZDXTGLMCI-UHFFFAOYSA-N

Canonic Smiles

COB(c1cccnc1)OC

Isomeric Smiles

n1cc(ccc1)B(OC)OC

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.7748201

LogD (pH = 7.4)

1.7835869

Log P

1.7837

Molar Refractivity

37.4112

Polarizability

16.462519

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