Molecule

ID:80171

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₄O₃
Molecular Mass
272.68822
Exact Mass
272.06761798
Charge
0
InChI
InChI=1S/C10H13ClN4O3/c1-13-8-7(9(17)14(2)10(13)18)15(5-12-8)4-6(16)3-11/h5-6,16H,3-4H2,1-2H3
InChIKey
XGBUEEIOXSVEQL-UHFFFAOYSA-N
Canonic Smiles
ClCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O
Isomeric Smiles
n1(c2c(c(=O)n(c1=O)C)n(CC(O)CCl)cn2)C
Calculated Properties
JChem
Acid pKa
13.899111
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5114908
LogD (pH = 7.4)
-0.5114908
Log P
-0.5114907
Molar Refractivity
65.137
Polarizability
24.111399
Polar Surface Area
78.67
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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