Molecule

ID:48077

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂
Molecular Mass
283.28082
Exact Mass
282.16295427
Charge
0
InChI
InChI=1S/C13H26N2.2ClH/c1-2-6-11-15(10-5-1)12-8-13-7-3-4-9-14-13;;/h13-14H,1-12H2;2*1H
InChIKey
NPQVDSZZYHYQHL-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCCCCC1.Cl.Cl
Isomeric Smiles
N1(CCC2NCCCC2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.141107
LogD (pH = 7.4)
-2.151529
Log P
2.0907938
Molar Refractivity
66.1331
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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