Molecule

ID:48170

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂
Molecular Mass
283.28082
Exact Mass
282.16295427
Charge
0
InChI
InChI=1S/C13H26N2.2ClH/c1-2-15(11-12-8-9-14-10-12)13-6-4-3-5-7-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
PAFGCERGOZTDIG-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CCCCC1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N(CC1CNCC1)(C1CCCCC1)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.510382
LogD (pH = 7.4)
-3.012676
Log P
2.047595
Molar Refractivity
66.0255
Polarizability
26.303617
Polar Surface Area
15.27
Rotatable Bonds
4
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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