Molecule

ID:47940

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂N₂
Molecular Mass
283.28082
Exact Mass
282.16295427
Charge
0
InChI
InChI=1S/C13H26N2.2ClH/c1-15(13-7-3-2-4-8-13)11-12-6-5-9-14-10-12;;/h12-14H,2-11H2,1H3;2*1H
InChIKey
DMIVOBCNDUVCPW-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCCC1)CC1CCCNC1.Cl.Cl
Isomeric Smiles
N(CC1CNCCC1)(C1CCCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.12894
LogD (pH = 7.4)
-2.2418354
Log P
2.1353557
Molar Refractivity
65.8779
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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