Molecule

ID:48185

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄Cl₂N₂
Molecular Mass
267.23836
Exact Mass
266.13165414
Charge
0
InChI
InChI=1S/C12H22N2.2ClH/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12;;/h3-4,12-13H,1-2,5-11H2;2*1H
InChIKey
YABRNPHQSUWTOB-UHFFFAOYSA-N
Canonic Smiles
C=CCN(CC1CCCCN1)CC=C.Cl.Cl
Isomeric Smiles
N1C(CN(CC=C)CC=C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.709825
LogD (pH = 7.4)
-0.33283123
Log P
2.1983988
Molar Refractivity
62.8501
Polarizability
24.733665
Polar Surface Area
15.27
Rotatable Bonds
6
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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