Molecule

ID:48129

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂
Molecular Mass
283.28082
Exact Mass
282.16295427
Charge
0
InChI
InChI=1S/C13H26N2.2ClH/c1-12-4-2-3-10-15(12)11-7-13-5-8-14-9-6-13;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
BCPQZLGNIHWMES-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1CCC1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCC2CCNCC2)C(C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.7842317
LogD (pH = 7.4)
-3.6614246
Log P
1.9280845
Molar Refractivity
66.2013
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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