Molecule

ID:46066

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-2-9-3-5-10(6-4-9)13-11-7-12-8-11/h3-6,11-12H,2,7-8H2,1H3
InChIKey
ZCOSJJUTZQWWEF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC1CNC1
Isomeric Smiles
N1CC(Oc2ccc(cc2)CC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5619557
LogD (pH = 7.4)
1.0830439
Log P
2.2974033
Molar Refractivity
52.589
Polarizability
20.94421
Polar Surface Area
21.26
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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