Molecule

ID:55322

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₇Cl₂N₃O₂
Molecular Mass
328.27838
Exact Mass
327.14803248
Charge
0
InChI
InChI=1S/C13H25N3O2.2ClH/c1-2-18-13(17)16-7-3-12(4-8-16)11-15-9-5-14-6-10-15;;/h12,14H,2-11H2,1H3;2*1H
InChIKey
HCARENOCWWDCTR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCC(CC1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
N1(C(=O)OCC)CCC(CN2CCNCC2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1585345
LogD (pH = 7.4)
-1.8422611
Log P
0.34464142
Molar Refractivity
71.656
Polarizability
28.173874
Polar Surface Area
44.81
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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