Molecule

ID:75888

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3
InChIKey
BABQTNDHVRVEJD-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)OCCCN(C)C
Isomeric Smiles
O(c1cc(ccc1)CO)CCCN(C)C
Calculated Properties
JChem
Acid pKa
14.940281
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
24.195858
Polar Surface Area
32.7
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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