Molecule

ID:25212

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9/h1-2,5-6,9H,3-4,7-8,12H2
InChIKey
KTCZQGIGKHJVGO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCC1CCCO1
Isomeric Smiles
O(c1c(N)cccc1)CC1OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3752275
LogD (pH = 7.4)
1.4048464
Log P
1.4052377
Molar Refractivity
55.4763
Polarizability
21.315598
Polar Surface Area
44.48
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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