Molecule

ID:116161

General Information
Structure
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-10(12-2)8(11)7-3-5-9-6-4-7/h7,9H,3-6H2,1-2H3
InChIKey
RARJJNXVBNIOKD-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)C1CCNCC1)C
Isomeric Smiles
C(=O)(N(OC)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5542223
LogD (pH = 7.4)
-2.9697087
Log P
-0.3282554
Molar Refractivity
46.0411
Polarizability
18.182564
Polar Surface Area
41.57
Rotatable Bonds
2
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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