Molecule

ID:50184

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-14-12-5-3-2-4-11(12)8-10-6-7-13-9-10/h2-5,10,13H,6-9H2,1H3
InChIKey
UROIFXYGKPQQPA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CC1CNCC1
Isomeric Smiles
c1(CC2CNCC2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2415819
LogD (pH = 7.4)
-1.1168567
Log P
1.9985932
Molar Refractivity
57.8652
Polarizability
22.791515
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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