Molecule

ID:20939

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey
KBYPITRKIJKGMD-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccccc1
Isomeric Smiles
N1CCC(Oc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.748066
LogD (pH = 7.4)
-0.9037474
Log P
1.4593327
Molar Refractivity
52.6776
Polarizability
21.02525
Polar Surface Area
21.26
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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