Molecule

ID:21074

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-2-14-10-3-5-11(6-4-10)15-12-7-8-13-9-12/h3-6,12-13H,2,7-9H2,1H3
InChIKey
XLNAXXXXGWNMDS-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)OC1CNCC1
Isomeric Smiles
N1CCC(Oc2ccc(cc2)OCC)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6323949
LogD (pH = 7.4)
-1.1581969
Log P
1.5985097
Molar Refractivity
59.024
Polarizability
23.525942
Polar Surface Area
30.49
Rotatable Bonds
4
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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