Molecule

ID:67167

General Information
Structure
Molecular Formula
C₅H₄ClN₅
Molecular Mass
169.57176
Exact Mass
169.01552283
Charge
0
InChI
InChI=1S/C5H4ClN5/c1-11-5-3(9-10-11)4(6)7-2-8-5/h2H,1H3
InChIKey
DRLGKTNNLQRDHQ-UHFFFAOYSA-N
Canonic Smiles
Cn1nnc2c1ncnc2Cl
Isomeric Smiles
c1nc2c(c(n1)Cl)nnn2C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.69309056
LogD (pH = 7.4)
0.69313127
Log P
0.6931318
Molar Refractivity
51.7571
Polarizability
15.156994
Polar Surface Area
56.49
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
No Data Available
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Molecule Details
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References
Bioactivity
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