Molecule

ID:26217

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂
Molecular Mass
245.14826
Exact Mass
244.05340382
Charge
0
InChI
InChI=1S/C11H14Cl2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKey
VYKXBWXIOSLDQR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CN1CCNCC1
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)CN1CCNCC1
Calculated Properties
JChem
Polarizability
25.593874
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5303879
LogD (pH = 7.4)
0.78240573
Log P
2.5868037
Molar Refractivity
64.9657
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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