Molecule

ID:33083

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-3-12-10-7-5-4-6-9(10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKey
LMUHGWYMCFSWBA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(N)C
Isomeric Smiles
c1(c(OCC)cccc1)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2326905
LogD (pH = 7.4)
-0.061731625
Log P
1.714726
Molar Refractivity
50.162
Polarizability
19.91253
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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