Molecule

ID:114093

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
WRJHHZOBJGDIHT-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)C
Isomeric Smiles
c1(ccc(cc1)C)OCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4295858
LogD (pH = 7.4)
-0.32394755
Log P
1.5320121
Molar Refractivity
45.5122
Polarizability
17.991217
Polar Surface Area
35.25
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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