Molecule

ID:83282

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5,10H2
InChIKey
HRWCWYGWEVVDLT-UHFFFAOYSA-N
Canonic Smiles
OC1C(N)Cc2c1cccc2
Isomeric Smiles
OC1C(Cc2ccccc12)N
Calculated Properties
JChem
Acid pKa
13.86959
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3990235
LogD (pH = 7.4)
-1.3238679
Log P
0.5683349
Molar Refractivity
43.4737
Polarizability
17.189144
Polar Surface Area
46.25
Rotatable Bonds
0
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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