Molecule

ID:10767

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChIKey
DWAQDRSOVMLGRQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc[nH]2
Isomeric Smiles
c1(ccc2c(c1)cc[nH]2)OC
Calculated Properties
JChem
Acid pKa
16.765907
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9143366
LogD (pH = 7.4)
1.9143366
Log P
1.9143366
Molar Refractivity
43.6077
Polarizability
18.098951
Polar Surface Area
25.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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