Molecule

ID:62851

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂O₂
Molecular Mass
267.15224
Exact Mass
266.05888312
Charge
0
InChI
InChI=1S/C10H14N2O2.2ClH/c1-7-4-8(13)5-9(12-7)10-6-11-2-3-14-10;;/h4-5,10-11H,2-3,6H2,1H3,(H,12,13);2*1H
InChIKey
ALZFIBQNYIZQCQ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(c1)C)C1CNCCO1.Cl.Cl
Isomeric Smiles
n1c(cc(cc1C)O)C1OCCNC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
10.840759
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0128145
LogD (pH = 7.4)
-0.32017672
Log P
0.21665479
Molar Refractivity
52.0191
Polarizability
20.65409
Polar Surface Area
54.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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