Molecule

ID:48588

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₅O
Molecular Mass
203.6295
Exact Mass
203.05738765
Charge
0
InChI
InChI=1S/C6H10ClN5O/c1-12(2-3-13)6-10-4(7)9-5(8)11-6/h13H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
MSOODBXJEJLCBR-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1nc(N)nc(n1)Cl)C
Isomeric Smiles
c1(nc(nc(n1)Cl)N)N(CCO)C
Calculated Properties
JChem
Acid pKa
15.246441
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.7085148
LogD (pH = 7.4)
0.7108406
Log P
0.7108703
Molar Refractivity
53.3335
Polarizability
18.23613
Polar Surface Area
88.16
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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