Molecule

ID:31595

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2
InChIKey
XQNLSQQEYXXVRM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)OC1CCCC1
Isomeric Smiles
c1c(OC2CCCC2)cccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3272038
LogD (pH = 7.4)
2.3411694
Log P
2.3413506
Molar Refractivity
53.6348
Polarizability
20.629498
Polar Surface Area
35.25
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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