Molecule

ID:21898

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-3-5(10-4-2)6(9)8-7;/h5H,3-4,7H2,1-2H3,(H,8,9);1H
InChIKey
REKRCTCXSFTMRM-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)NN)OCC.Cl
Isomeric Smiles
C(=O)(NN)C(OCC)CC.Cl
Calculated Properties
JChem
Acid pKa
12.742688
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.05500622
LogD (pH = 7.4)
-0.052820798
Log P
-0.05279097
Molar Refractivity
39.1699
Polarizability
15.138
Polar Surface Area
64.35
Rotatable Bonds
4
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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