Molecule

ID:80905

General Information
Structure
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6(9-11)7-4-2-3-5-8(7)10/h2-5,10-11H,1H3
InChIKey
JZXBPZWZZOXDFB-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccccc1O)\C
Isomeric Smiles
N(=C(\c1ccccc1O)/C)/O
Calculated Properties
JChem
Acid pKa
7.8435445
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2347478
LogD (pH = 7.4)
1.1036772
Log P
1.2368078
Molar Refractivity
42.2634
Polarizability
16.02346
Polar Surface Area
52.82
Rotatable Bonds
1
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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