Molecule

ID:112433

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c14-12(11-4-2-1-3-5-11)10-13-6-8-15-9-7-13/h1-5,12,14H,6-10H2
InChIKey
CKCUWHAMJDWXOH-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)CN1CCOCC1
Isomeric Smiles
OC(CN1CCOCC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.111324
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.27910453
LogD (pH = 7.4)
0.9627809
Log P
1.0658072
Molar Refractivity
59.6377
Polarizability
23.480705
Polar Surface Area
32.7
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation