Molecule

ID:66602

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂
Molecular Mass
255.22766
Exact Mass
254.13165414
Charge
0
InChI
InChI=1S/C11H22N2.2ClH/c1-11(5-7-12-8-6-11)13-9-3-2-4-10-13;;/h12H,2-10H2,1H3;2*1H
InChIKey
YWAPNCGBIUSKMD-UHFFFAOYSA-N
Canonic Smiles
CC1(CCNCC1)N1CCCCC1.Cl.Cl
Isomeric Smiles
N1(CCCCC1)C1(CCNCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.0012546
LogD (pH = 7.4)
-3.0185082
Log P
0.96487045
Molar Refractivity
56.9247
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
1
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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