Molecule

ID:23984

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClN₃O
Molecular Mass
165.62128
Exact Mass
165.0668897
Charge
0
InChI
InChI=1S/C5H11N3O.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H
InChIKey
UVYKKFKLOUEFAR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)N1CCNCC1.Cl
Isomeric Smiles
N1(CCNCC1)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
16.105839
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7236938
LogD (pH = 7.4)
-2.010312
Log P
-1.4524101
Molar Refractivity
33.6914
Polarizability
13.11384
Polar Surface Area
58.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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