Molecule

ID:86258

General Information
Structure
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
InChIKey
MOYHVSKDHLMMPS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)N(C)C
Isomeric Smiles
N(c1cc(ccc1)OC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9130349
LogD (pH = 7.4)
1.9234836
Log P
1.9236184
Molar Refractivity
46.9498
Polarizability
17.6736
Polar Surface Area
12.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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