Molecule
ID:83270
General Information
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
FRZWXXLIRIYHFT-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)C(=O)NCCC
Isomeric Smiles
O=C(C(=O)NCCC)NCCC
Calculated Properties
JChem
Acid pKa
13.444136
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.32837602
LogD (pH = 7.4)
0.3283757
Log P
0.32837602
Molar Refractivity
46.4216
Polarizability
17.910904
Polar Surface Area
58.2
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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