Molecule

ID:13745

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂O₂
Molecular Mass
323.25856
Exact Mass
322.12148338
Charge
0
InChI
InChI=1S/C14H22N2O2.2ClH/c1-17-13-4-3-5-14(18-2)12(13)10-16-8-6-11(15)7-9-16;;/h3-5,11H,6-10,15H2,1-2H3;2*1H
InChIKey
QCOFKROKSVBJBW-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1CN1CCC(CC1)N)OC.Cl.Cl
Isomeric Smiles
NC1CCN(CC1)Cc1c(cccc1OC)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.5414193
LogD (pH = 7.4)
-1.9945464
Log P
0.81047785
Molar Refractivity
72.9089
Polarizability
28.735392
Polar Surface Area
47.72
Rotatable Bonds
4
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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