Molecule

ID:14643

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKey
JGYVHBXLANTDMO-UHFFFAOYSA-N
Canonic Smiles
NCCCOc1ccccc1OC
Isomeric Smiles
c1ccc(c(c1)OCCCN)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0954452
LogD (pH = 7.4)
-1.4970632
Log P
0.9208792
Molar Refractivity
51.7996
Polarizability
20.573778
Polar Surface Area
44.48
Rotatable Bonds
5
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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