Molecule

ID:48103

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂
Molecular Mass
283.28082
Exact Mass
282.16295427
Charge
0
InChI
InChI=1S/C13H26N2.2ClH/c1-12-4-8-15(9-5-12)10-6-13-3-2-7-14-11-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
OZSQSDXKTMGBMB-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N1(CCC2CNCCC2)CCC(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8315387
LogD (pH = 7.4)
-3.690957
Log P
1.8764822
Molar Refractivity
66.2541
Polarizability
26.303617
Polar Surface Area
15.27
Rotatable Bonds
3
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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