Molecule

ID:23950

General Information
Structure
Molecular Formula
C₁₂H₁₈Cl₂N₂O₂
Molecular Mass
293.18952
Exact Mass
292.07453319
Charge
0
InChI
InChI=1S/C12H16N2O2.2ClH/c1-2-11-12(16-8-7-15-11)9-10(1)14-5-3-13-4-6-14;;/h1-2,9,13H,3-8H2;2*1H
InChIKey
YSLWQMYRGGWKHF-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ccc2c(c1)OCCO2.Cl.Cl
Isomeric Smiles
N1(c2cc3c(OCCO3)cc2)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.949257
LogD (pH = 7.4)
-0.43512318
Log P
1.0584939
Molar Refractivity
62.1994
Polarizability
23.9384
Polar Surface Area
33.73
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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