Molecule

ID:79361

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-6-14(7-2)12(15)11-9(4)8(3)10(5)13-11/h13H,6-7H2,1-5H3
InChIKey
BJFUEJMWVBADGW-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1[nH]c(c(c1C)C)C)CC
Isomeric Smiles
[nH]1c(c(c(c1C)C)C)C(=O)N(CC)CC
Calculated Properties
JChem
Acid pKa
16.037336
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2111416
LogD (pH = 7.4)
2.2111435
Log P
2.2111435
Molar Refractivity
64.2954
Polarizability
23.526869
Polar Surface Area
36.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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