Molecule

ID:12737

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₂
Molecular Mass
247.16414
Exact Mass
246.06905388
Charge
0
InChI
InChI=1S/C11H15ClN2.ClH/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H
InChIKey
ZKQKYKNSUWSKAN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CN1CCNCC1.Cl
Isomeric Smiles
c1(CN2CCNCC2)ccc(cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1462907
LogD (pH = 7.4)
0.17081149
Log P
1.9827589
Molar Refractivity
60.1609
Polarizability
23.71914
Polar Surface Area
15.27
Rotatable Bonds
2
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
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References
Bioactivity
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