Molecule

ID:125420

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₂
Molecular Mass
274.35808
Exact Mass
274.16812795
Charge
0
InChI
InChI=1S/C16H22N2O2/c1-11(2)18(4)9-8-13-10-17-14-6-5-7-15(16(13)14)20-12(3)19/h5-7,10-11,17H,8-9H2,1-4H3
InChIKey
CIDMXLOVFPIHDS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cccc2c1c(CCN(C(C)C)C)c[nH]2
Isomeric Smiles
CC(C)N(C)CCc1c[nH]c2c1c(ccc2)OC(=O)C
Calculated Properties
JChem
Acid pKa
17.055258
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.78286713
LogD (pH = 7.4)
0.07419493
Log P
2.6827097
Molar Refractivity
80.742
Polarizability
32.482872
Polar Surface Area
45.33
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
References
Bioactivity
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