Molecule

ID:45985

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-9-3-2-4-10(5-9)8-13-11-6-12-7-11/h2-5,11-12H,6-8H2,1H3
InChIKey
IXHMMFHPPQFHFL-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)COC1CNC1
Isomeric Smiles
N1CC(OCc2cc(ccc2)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0683551
LogD (pH = 7.4)
0.5046196
Log P
1.8862827
Molar Refractivity
53.0919
Polarizability
20.956646
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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