Molecule

ID:17274

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-10(2)8(7(11)12)3-5-9-6-4-8/h9H,3-6H2,1-2H3,(H,11,12)
InChIKey
HGEOLLFBMMRLDY-UHFFFAOYSA-N
Canonic Smiles
CN(C1(CCNCC1)C(=O)O)C
Isomeric Smiles
C1(C(=O)O)(N(C)C)CCNCC1
Calculated Properties
JChem
Acid pKa
1.8163036
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.741682
LogD (pH = 7.4)
-3.9974604
Log P
-3.1594512
Molar Refractivity
46.2689
Polarizability
18.314745
Polar Surface Area
52.57
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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