Molecule

ID:30740

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃O
Molecular Mass
163.6054
Exact Mass
163.05123964
Charge
0
InChI
InChI=1S/C5H9N3O.ClH/c1-4-5(3-6-2)8-9-7-4;/h6H,3H2,1-2H3;1H
InChIKey
TXROHCUNQGIUTH-UHFFFAOYSA-N
Canonic Smiles
CNCc1nonc1C.Cl
Isomeric Smiles
c1(nonc1C)CNC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8598092
LogD (pH = 7.4)
-1.1634766
Log P
-0.666718
Molar Refractivity
33.7459
Polarizability
12.455328
Polar Surface Area
50.95
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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