Molecule

ID:51206

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-2-9-8(12)10-5-3-7(11)4-6-10/h7,11H,2-6H2,1H3,(H,9,12)
InChIKey
KHDCRLYJCGWTEE-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)N1CCC(CC1)O
Isomeric Smiles
C(=O)(N1CCC(CC1)O)NCC
Calculated Properties
JChem
Acid pKa
15.023387
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0179383
LogD (pH = 7.4)
-1.0179381
Log P
-1.0179381
Molar Refractivity
46.3056
Polarizability
17.736725
Polar Surface Area
52.57
Rotatable Bonds
1
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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