Molecule

ID:63005

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃O
Molecular Mass
280.19406
Exact Mass
279.0905176
Charge
0
InChI
InChI=1S/C11H17N3O.2ClH/c1-14(2)11-5-3-4-9(13-11)10-8-12-6-7-15-10;;/h3-5,10,12H,6-8H2,1-2H3;2*1H
InChIKey
GCSLTBXLDXJVQA-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)C1OCCNC1)C.Cl.Cl
Isomeric Smiles
n1c(N(C)C)cccc1C1OCCNC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2309442
LogD (pH = 7.4)
0.49522603
Log P
1.0913514
Molar Refractivity
60.1888
Polarizability
23.101152
Polar Surface Area
37.39
Rotatable Bonds
2
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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