Molecule

ID:101345

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11H,5-8,12H2
InChIKey
CCIFXNITZHWCRR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OC1CCOCC1
Isomeric Smiles
O1CCC(Oc2ccc(N)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8167967
LogD (pH = 7.4)
0.94590956
Log P
0.9478347
Molar Refractivity
55.6971
Polarizability
21.313416
Polar Surface Area
44.48
Rotatable Bonds
2
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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