Molecule

ID:75889

General Information
Structure
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,14H,3,8-10H2,1-2H3
InChIKey
ZLCIFBOMXUAJPZ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)OCCCN(C)C
Isomeric Smiles
O(c1ccc(cc1)CO)CCCN(C)C
Calculated Properties
JChem
Acid pKa
15.021549
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1827693
LogD (pH = 7.4)
-0.72614354
Log P
1.126829
Molar Refractivity
62.2216
Polarizability
24.195818
Polar Surface Area
32.7
Rotatable Bonds
6
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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