Molecule

ID:83272

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2
InChIKey
LOPKSXMQWBYUOI-UHFFFAOYSA-N
Canonic Smiles
NC1C(O)Cc2c1cccc2
Isomeric Smiles
NC1C(Cc2ccccc12)O
Calculated Properties
JChem
Acid pKa
14.380486
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3743553
LogD (pH = 7.4)
-1.1841465
Log P
0.5683349
Molar Refractivity
43.4737
Polarizability
17.190062
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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