Molecule

ID:69660

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,10H2,1-2H3
InChIKey
NRTWXBXJSGGTTE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1C)N
Isomeric Smiles
C(=O)(c1c(cc(cc1)N)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6598437
LogD (pH = 7.4)
1.6612009
Log P
1.6612182
Molar Refractivity
47.8249
Polarizability
17.653887
Polar Surface Area
52.32
Rotatable Bonds
2
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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