Molecule

ID:55679

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆Cl₂N₂O₂
Molecular Mass
325.27444
Exact Mass
324.13713344
Charge
0
InChI
InChI=1S/C14H24N2O2.2ClH/c1-16(2)10-6-9-15-11-12-7-5-8-13(17-3)14(12)18-4;;/h5,7-8,15H,6,9-11H2,1-4H3;2*1H
InChIKey
RCWUIDUKYROKMA-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCCCN(C)C)cccc1OC.Cl.Cl
Isomeric Smiles
c1(c(CNCCCN(C)C)cccc1OC)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.721865
LogD (pH = 7.4)
-1.2615851
Log P
1.2948564
Molar Refractivity
75.1169
Polarizability
29.469658
Polar Surface Area
33.73
Rotatable Bonds
8
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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