Molecule

ID:71473

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂Cl₂N₂O₂
Molecular Mass
239.09908
Exact Mass
238.02758299
Charge
0
InChI
InChI=1S/C8H10N2O2.2ClH/c9-5-3-7-8(4-6(5)10)12-2-1-11-7;;/h3-4H,1-2,9-10H2;2*1H
InChIKey
XXHGNNYLGJCVEG-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2OCCOc2cc1N.Cl.Cl
Isomeric Smiles
c1c2c(cc(c1N)N)OCCO2.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.21802597
LogD (pH = 7.4)
-0.17209212
Log P
-0.17147356
Molar Refractivity
46.4162
Polarizability
16.935616
Polar Surface Area
70.5
Rotatable Bonds
0
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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