Molecule

ID:116827

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂
Molecular Mass
179.21572
Exact Mass
179.09462866
Charge
0
InChI
InChI=1S/C10H13NO2/c1-7-5-3-4-6-8(7)9(11)10(12)13-2/h3-6,9H,11H2,1-2H3
InChIKey
OHHVIUPROOQIPE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1C)N
Isomeric Smiles
C(c1c(C)cccc1)(C(=O)OC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2227414
LogD (pH = 7.4)
1.3683865
Log P
1.4482692
Molar Refractivity
50.1716
Polarizability
19.901484
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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