Molecule

ID:79794

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₄O₂
Molecular Mass
178.57698
Exact Mass
178.02575316
Charge
0
InChI
InChI=1S/C4H6N4O2.ClH/c5-1-2(6)7-4(10)8-3(1)9;/h5H2,(H4,6,7,8,9,10);1H
InChIKey
VHMLWEBEDKTKOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1[nH]c(=O)[nH]c(=O)c1N.Cl
Isomeric Smiles
[nH]1c(c(N)c(=O)[nH]c1=O)N.Cl
Calculated Properties
JChem
Acid pKa
9.420796
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.2410038
LogD (pH = 7.4)
-2.2445748
Log P
-2.2404957
Molar Refractivity
42.5302
Polarizability
12.013431
Polar Surface Area
110.24
Rotatable Bonds
0
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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