Molecule

ID:33115

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃O
Molecular Mass
163.6054
Exact Mass
163.05123964
Charge
0
InChI
InChI=1S/C5H9N3O.ClH/c1-2-4-7-8-5(3-6)9-4;/h2-3,6H2,1H3;1H
InChIKey
TWXCJSIMFSNTIQ-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(o1)CN.Cl
Isomeric Smiles
n1nc(oc1CN)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.698765
LogD (pH = 7.4)
-1.229706
Log P
-1.022779
Molar Refractivity
33.8516
Polarizability
12.451348
Polar Surface Area
64.94
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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