Molecule

ID:84662

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₂N₂
Molecular Mass
259.17484
Exact Mass
258.06905388
Charge
0
InChI
InChI=1S/C12H15ClN2.ClH/c13-8-4-1-5-9-15-10-14-11-6-2-3-7-12(11)15;/h2-3,6-7,10H,1,4-5,8-9H2;1H
InChIKey
YPFOCLHWFRLGHF-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCn1cnc2c1cccc2.Cl
Isomeric Smiles
n1cn(c2ccccc12)CCCCCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8638716
LogD (pH = 7.4)
3.1631982
Log P
3.169561
Molar Refractivity
63.3195
Polarizability
25.59643
Polar Surface Area
17.82
Rotatable Bonds
5
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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