Molecule

ID:30280

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O₂
Molecular Mass
280.151
Exact Mass
279.0541321
Charge
0
InChI
InChI=1S/C10H13N3O2.2ClH/c11-7-1-2-9-8(5-7)12-10(6-15)13(9)3-4-14;;/h1-2,5,14-15H,3-4,6,11H2;2*1H
InChIKey
ZWKDLPKPJIATJP-UHFFFAOYSA-N
Canonic Smiles
OCCn1c(CO)nc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
n1c(n(c2c1cc(cc2)N)CCO)CO.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.977913
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.3644012
LogD (pH = 7.4)
-0.7502482
Log P
-0.7300312
Molar Refractivity
57.0008
Polarizability
22.454014
Polar Surface Area
84.3
Rotatable Bonds
3
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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