Molecule

ID:48137

General Information
Structure
MolImage
Molecular Formula
C₁₃H₃₀Cl₂N₂
Molecular Mass
285.2967
Exact Mass
284.17860433
Charge
0
InChI
InChI=1S/C13H28N2.2ClH/c1-3-10-15(11-4-2)12-7-13-5-8-14-9-6-13;;/h13-14H,3-12H2,1-2H3;2*1H
InChIKey
ZBURYFRTJCKBRD-UHFFFAOYSA-N
Canonic Smiles
CCCN(CCC1CCNCC1)CCC.Cl.Cl
Isomeric Smiles
N1CCC(CCN(CCC)CCC)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.306426
LogD (pH = 7.4)
-3.506009
Log P
2.419804
Molar Refractivity
68.1857
Polarizability
27.04461
Polar Surface Area
15.27
Rotatable Bonds
7
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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