Molecule

ID:20987

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂O
Molecular Mass
265.17942
Exact Mass
264.07961857
Charge
0
InChI
InChI=1S/C11H16N2O.2ClH/c1-9-2-3-11(8-13-9)14-10-4-6-12-7-5-10;;/h2-3,8,10,12H,4-7H2,1H3;2*1H
InChIKey
PZLAINMYWMATDD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cn1)OC1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(ccc(OC2CCNCC2)c1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.04683
LogD (pH = 7.4)
-1.9935654
Log P
0.37303048
Molar Refractivity
55.1122
Polarizability
21.87666
Polar Surface Area
34.15
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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