Molecule

ID:48015

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂
Molecular Mass
255.22766
Exact Mass
254.13165414
Charge
0
InChI
InChI=1S/C11H22N2.2ClH/c1-10-4-2-3-9-13(10)11-5-7-12-8-6-11;;/h10-12H,2-9H2,1H3;2*1H
InChIKey
CCMUAUAVOVMPAY-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1C1CCNCC1.Cl.Cl
Isomeric Smiles
N1(C2CCNCC2)C(C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8748655
LogD (pH = 7.4)
-2.8908417
Log P
1.1008688
Molar Refractivity
56.7053
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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