Molecule

ID:69123

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3
InChIKey
BWQBYHGDMBHIIQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccccc1N
Isomeric Smiles
C(=O)(Cc1c(cccc1)N)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.92253256
LogD (pH = 7.4)
0.9278934
Log P
0.9279622
Molar Refractivity
46.8351
Polarizability
17.755697
Polar Surface Area
52.32
Rotatable Bonds
3
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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