Molecule

ID:24358

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c9-8(11)3-4-10-6-7-2-1-5-12-7/h7,10H,1-6H2,(H2,9,11)
InChIKey
INOLLFDRRIHKGC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNCC1CCCO1
Isomeric Smiles
C(=O)(CCNCC1OCCC1)N
Calculated Properties
JChem
Acid pKa
16.557142
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9932113
LogD (pH = 7.4)
-2.7143595
Log P
-0.86623603
Molar Refractivity
45.5543
Polarizability
18.182564
Polar Surface Area
64.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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