Molecule

ID:79097

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₄O
Molecular Mass
188.61486
Exact Mass
188.04648861
Charge
0
InChI
InChI=1S/C6H9ClN4O/c1-10(8)4-3-9-11(2)6(12)5(4)7/h3H,8H2,1-2H3
InChIKey
UKPMAZBURJFXCB-UHFFFAOYSA-N
Canonic Smiles
CN(c1cnn(c(=O)c1Cl)C)N
Isomeric Smiles
n1cc(c(c(=O)n1C)Cl)N(N)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.94378746
LogD (pH = 7.4)
-0.79730517
Log P
-0.7950776
Molar Refractivity
48.5325
Polarizability
17.266903
Polar Surface Area
61.93
Rotatable Bonds
1
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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