Molecule

ID:55254

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₃O₃
Molecular Mass
366.2833
Exact Mass
365.12729704
Charge
0
InChI
InChI=1S/C15H23N3O3.2ClH/c1-20-12-3-4-14(21-2)13(9-12)17-15(19)10-18-7-5-11(16)6-8-18;;/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19);2*1H
InChIKey
FQVKVUMIDFELGW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)CN1CCC(CC1)N)OC.Cl.Cl
Isomeric Smiles
c1(NC(=O)CN2CCC(CC2)N)cc(ccc1OC)OC.Cl.Cl
Calculated Properties
JChem
Acid pKa
11.800885
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.3797843
LogD (pH = 7.4)
-2.712885
Log P
-0.15651855
Molar Refractivity
82.6582
Polarizability
31.780231
Polar Surface Area
76.82
Rotatable Bonds
5
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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