Molecule

ID:30810

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8,12H2
InChIKey
BDTTYRMUFWQXNJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCC1CCCO1
Isomeric Smiles
O1C(COc2ccc(N)cc2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2733272
LogD (pH = 7.4)
1.4032977
Log P
1.4052377
Molar Refractivity
55.4763
Polarizability
21.313473
Polar Surface Area
44.48
Rotatable Bonds
3
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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