Molecule

ID:77185

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂
Molecular Mass
179.21572
Exact Mass
179.09462866
Charge
0
InChI
InChI=1S/C10H13NO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6,11H2
InChIKey
LOIMKZYNBRCYDN-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C1OCCCO1
Isomeric Smiles
O1CCCOC1c1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.17483
LogD (pH = 7.4)
1.1872729
Log P
1.187434
Molar Refractivity
51.003
Polarizability
19.48003
Polar Surface Area
44.48
Rotatable Bonds
1
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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