Molecule

ID:127224

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-9(13-2)7-10-3-4-11-12(8-10)15-6-5-14-11/h3-4,8-9,13H,5-7H2,1-2H3
InChIKey
UJKWLAZYSLJTKA-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1ccc2c(c1)OCCO2)C
Isomeric Smiles
CC(Cc1ccc2c(c1)OCCO2)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.475487
LogD (pH = 7.4)
-0.88096863
Log P
1.7499634
Molar Refractivity
59.4372
Polarizability
23.448246
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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