Molecule

ID:22685

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-2-3-4-5-6-10-14(17)16-13-9-7-8-12(15)11-13/h7-9,11H,2-6,10,15H2,1H3,(H,16,17)
InChIKey
WNLMUPLRUVFLAD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)CCCCCCC
Calculated Properties
JChem
Acid pKa
14.127952
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2919214
LogD (pH = 7.4)
3.3052368
Log P
3.3054094
Molar Refractivity
73.2533
Polarizability
27.404028
Polar Surface Area
55.12
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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