Molecule

ID:38185

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃O
Molecular Mass
163.6054
Exact Mass
163.05123964
Charge
0
InChI
InChI=1S/C5H9N3O.ClH/c1-2-4-7-5(3-6)9-8-4;/h2-3,6H2,1H3;1H
InChIKey
LIXATVVMJBJFRZ-UHFFFAOYSA-N
Canonic Smiles
CCc1noc(n1)CN.Cl
Isomeric Smiles
n1c(noc1CN)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3664415
LogD (pH = 7.4)
0.06996321
Log P
0.2531164
Molar Refractivity
33.7258
Polarizability
12.45107
Polar Surface Area
64.94
Rotatable Bonds
2
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
References
Bioactivity
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