Molecule

ID:47992

General Information
Structure
Molecular Formula
C₁₁H₂₄Cl₂N₂
Molecular Mass
255.22766
Exact Mass
254.13165414
Charge
0
InChI
InChI=1S/C11H22N2.2ClH/c1-2-4-9-13(8-3-1)11-6-5-7-12-10-11;;/h11-12H,1-10H2;2*1H
InChIKey
ZYRHTMOOLVDLOB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)N1CCCCCC1.Cl.Cl
Isomeric Smiles
N1(C2CNCCC2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.57298
LogD (pH = 7.4)
-1.2002369
Log P
1.5862653
Molar Refractivity
56.6667
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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