Molecule
ID:40805
General Information
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-6,11H,1H3
InChIKey
YCMWUYPNOPVGGT-UHFFFAOYSA-N
Canonic Smiles
Cn1c(O)cc2c1cccc2
Isomeric Smiles
c1(n(c2c(c1)cccc2)C)O
Calculated Properties
JChem
Acid pKa
10.89862
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0814078
LogD (pH = 7.4)
2.0812736
Log P
2.0814095
Molar Refractivity
43.2754
Polarizability
17.94127
Polar Surface Area
25.16
Rotatable Bonds
0
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
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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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