Molecule
ID:61878
General Information
Molecular Formula
C₁₁H₁₁ClN₄O₂
Molecular Mass
266.68364
Exact Mass
266.05705329
Charge
0
InChI
InChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-15-16(10(8)13)9-4-3-7(12)5-14-9/h3-6H,2,13H2,1H3
InChIKey
RJRFWQPKYSBYGG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1N)c1ccc(cn1)Cl
Isomeric Smiles
n1(c(c(cn1)C(=O)OCC)N)c1ncc(cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3104742
LogD (pH = 7.4)
2.3105433
Log P
2.310544
Molar Refractivity
68.1087
Polarizability
25.213322
Polar Surface Area
83.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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