Molecule

ID:62865

General Information
Structure
Molecular Formula
C₁₀H₁₆Cl₂N₂O
Molecular Mass
251.15284
Exact Mass
250.0639685
Charge
0
InChI
InChI=1S/C10H14N2O.2ClH/c1-7-5-8(13)6-10(12-7)9-3-2-4-11-9;;/h5-6,9,11H,2-4H2,1H3,(H,12,13);2*1H
InChIKey
UNGDUDODENPDEW-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(c1)C)C1CCCN1.Cl.Cl
Isomeric Smiles
n1c(cc(cc1C)O)C1NCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
8.547492
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1574163
LogD (pH = 7.4)
-0.6463337
Log P
0.48847076
Molar Refractivity
50.4856
Polarizability
19.954987
Polar Surface Area
45.15
Rotatable Bonds
1
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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