Molecule

ID:55255

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₃O₃
Molecular Mass
366.2833
Exact Mass
365.12729704
Charge
0
InChI
InChI=1S/C15H23N3O3.2ClH/c1-20-12-3-4-13(14(9-12)21-2)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
COSBEPDWFFIAOB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1NC(=O)CN1CCC(CC1)N.Cl.Cl
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)OC)OC)CN1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
12.304525
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.406229
LogD (pH = 7.4)
-2.7140086
Log P
-0.114801794
Molar Refractivity
82.6582
Polarizability
31.780457
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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