Molecule

ID:50878

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-13-11-7-3-2-5-9(11)10-6-4-8-12-10/h2-3,5,7,10,12H,4,6,8H2,1H3
InChIKey
DSRDQQWHCNKVAV-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCCN1
Isomeric Smiles
c1(C2NCCC2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.38118
LogD (pH = 7.4)
-0.7040721
Log P
1.8394879
Molar Refractivity
52.9804
Polarizability
21.020346
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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