Molecule

ID:50422

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₂
Molecular Mass
170.20896
Exact Mass
170.1055277
Charge
0
InChI
InChI=1S/C8H14N2O2/c11-6-4-10(5-6)8(12)7-2-1-3-9-7/h6-7,9,11H,1-5H2
InChIKey
WNVFOITUHIMMPO-UHFFFAOYSA-N
Canonic Smiles
OC1CN(C1)C(=O)C1CCCN1
Isomeric Smiles
N1(C(=O)C2NCCC2)CC(C1)O
Calculated Properties
JChem
Acid pKa
14.755688
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.4655533
LogD (pH = 7.4)
-3.6167667
Log P
-1.2585918
Molar Refractivity
43.6734
Polarizability
17.396523
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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