Molecule
ID:15169
General Information
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10/h3-4,7,9H,2,5-6,12H2,1H3
InChIKey
XFJGCUXFYPRSMB-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc2c(c1)OCCO2)N
Isomeric Smiles
c12c(ccc(c1)C(CC)N)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4526324
LogD (pH = 7.4)
-0.66866696
Log P
1.5512441
Molar Refractivity
54.4316
Polarizability
21.68029
Polar Surface Area
44.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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