Molecule

ID:103917

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₂N₃O₂
Molecular Mass
336.25732
Exact Mass
335.11673235
Charge
0
InChI
InChI=1S/C14H22ClN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H
InChIKey
RVFUNJWWXKCWNS-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC.Cl
Isomeric Smiles
Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Calculated Properties
JChem
Acid pKa
14.490737
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8242222
LogD (pH = 7.4)
-0.2508232
Log P
1.3972701
Molar Refractivity
83.5178
Polarizability
31.281101
Polar Surface Area
67.59
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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