Molecule

ID:65927

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2
InChIKey
GYSQDBGCDZWPMQ-UHFFFAOYSA-N
Canonic Smiles
NC1CC(C1)OCc1ccccc1
Isomeric Smiles
NC1CC(C1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9014071
LogD (pH = 7.4)
-1.4117206
Log P
1.1199675
Molar Refractivity
52.6771
Polarizability
21.036253
Polar Surface Area
35.25
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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