Molecule

ID:40607

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKey
MIZIOHLLYXVEHJ-UHFFFAOYSA-N
Canonic Smiles
OCCN(Cc1ccccc1)CCO
Isomeric Smiles
N(Cc1ccccc1)(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.2914095
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.347343
LogD (pH = 7.4)
-0.5974554
Log P
0.53443855
Molar Refractivity
57.1853
Polarizability
22.297846
Polar Surface Area
43.7
Rotatable Bonds
6
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
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References
Bioactivity
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