Molecule

ID:16151

General Information
Structure
Molecular Formula
C₈H₁₅ClN₂O₃
Molecular Mass
222.6693
Exact Mass
222.07712003
Charge
0
InChI
InChI=1S/C8H14N2O3.ClH/c9-8(13)6-1-3-10(4-2-6)5-7(11)12;/h6H,1-5H2,(H2,9,13)(H,11,12);1H
InChIKey
ADIGZBBVJSQUEW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCC(CC1)C(=O)N.Cl
Isomeric Smiles
C(=O)(C1CCN(CC(=O)O)CC1)N.Cl
Calculated Properties
JChem
Acid pKa
1.5927012
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.7955403
LogD (pH = 7.4)
-3.7977667
Log P
-3.7955725
Molar Refractivity
46.2768
Polarizability
18.0676
Polar Surface Area
83.63
Rotatable Bonds
3
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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