Molecule

ID:69281

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-3,10-11H,4-6H2
InChIKey
KIAXWXLKHCRJMK-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc2c1CCN2
Isomeric Smiles
C(O)c1c2CCNc2ccc1
Calculated Properties
JChem
Acid pKa
15.105582
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.68058693
LogD (pH = 7.4)
0.71806324
Log P
0.71856266
Molar Refractivity
46.3773
Polarizability
16.797546
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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