Molecule

ID:77128

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,8,10-11H,5-6H2
InChIKey
GRPOFAKYHPAXNP-UHFFFAOYSA-N
Canonic Smiles
OCC1Cc2c(N1)cccc2
Isomeric Smiles
N1C(Cc2ccccc12)CO
Calculated Properties
JChem
Acid pKa
15.096952
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.85025346
LogD (pH = 7.4)
0.85551006
Log P
0.8555775
Molar Refractivity
45.5239
Polarizability
16.80331
Polar Surface Area
32.26
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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