Molecule

ID:24166

General Information
Structure
Molecular Formula
C₁₅H₂₆Cl₂N₂O₂
Molecular Mass
337.28514
Exact Mass
336.13713344
Charge
0
InChI
InChI=1S/C15H24N2O2.2ClH/c1-18-14-7-6-12(10-15(14)19-2)13(11-16)17-8-4-3-5-9-17;;/h6-7,10,13H,3-5,8-9,11,16H2,1-2H3;2*1H
InChIKey
OOAWXJBANIZAAQ-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(c(c1)OC)OC)N1CCCCC1.Cl.Cl
Isomeric Smiles
c1(C(N2CCCCC2)CN)cc(c(cc1)OC)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9951726
LogD (pH = 7.4)
0.046197057
Log P
1.7124494
Molar Refractivity
77.2891
Polarizability
30.579565
Polar Surface Area
47.72
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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