Molecule

ID:33447

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃O₂
Molecular Mass
179.6048
Exact Mass
179.04615426
Charge
0
InChI
InChI=1S/C5H9N3O2.ClH/c1-9-3-4-7-5(2-6)10-8-4;/h2-3,6H2,1H3;1H
InChIKey
CXDCHHRHXFOUDH-UHFFFAOYSA-N
Canonic Smiles
COCc1noc(n1)CN.Cl
Isomeric Smiles
n1c(noc1CN)COC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2234392
LogD (pH = 7.4)
-0.80092263
Log P
-0.6254233
Molar Refractivity
35.5523
Polarizability
13.273854
Polar Surface Area
74.17
Rotatable Bonds
3
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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