Molecule

ID:85252

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O₃
Molecular Mass
270.67234
Exact Mass
270.05196791
Charge
0
InChI
InChI=1S/C10H11ClN4O3/c1-13-7-6(8(16)14(2)10(13)17)15(9(11)12-7)3-5-4-18-5/h5H,3-4H2,1-2H3
InChIKey
JALJPBUMHBYGDH-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c2c(c1=O)n(CC1CO1)c(n2)Cl
Isomeric Smiles
n1c(Cl)n(c2c1n(c(=O)n(c2=O)C)C)CC1OC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.20963535
LogD (pH = 7.4)
0.20963536
Log P
0.20963536
Molar Refractivity
63.6018
Polarizability
23.611639
Polar Surface Area
70.97
Rotatable Bonds
2
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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