Molecule

ID:48064

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆Cl₂N₂
Molecular Mass
257.24354
Exact Mass
256.1473042
Charge
0
InChI
InChI=1S/C11H24N2.2ClH/c1-3-13(4-2)10-8-11-7-5-6-9-12-11;;/h11-12H,3-10H2,1-2H3;2*1H
InChIKey
VYYRFELMMHOYEE-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC1CCCCN1)CC.Cl.Cl
Isomeric Smiles
N1C(CCN(CC)CC)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.5962873
LogD (pH = 7.4)
-2.5412784
Log P
1.5094749
Molar Refractivity
58.8873
Polarizability
23.35114
Polar Surface Area
15.27
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
No Data Available
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Molecule Details
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References
Bioactivity
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