Molecule

ID:86048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₄O₂
Molecular Mass
256.68882
Exact Mass
256.07270336
Charge
0
InChI
InChI=1S/C10H13ClN4O2/c1-17-10(16)6-8(12)15-9(7(11)14-6)13-4-5-2-3-5/h5H,2-4H2,1H3,(H3,12,13,15)
InChIKey
DOSXIGWPGFLMOJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)c(nc1N)NCC1CC1
Isomeric Smiles
n1c(c(nc(c1Cl)NCC1CC1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
15.875045
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8147713
LogD (pH = 7.4)
1.8147943
Log P
1.8147947
Molar Refractivity
66.7268
Polarizability
23.956976
Polar Surface Area
90.13
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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