Molecule

ID:47972

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀Cl₂N₂
Molecular Mass
297.3074
Exact Mass
296.17860433
Charge
0
InChI
InChI=1S/C14H28N2.2ClH/c1-2-16(14-6-4-3-5-7-14)12-13-8-10-15-11-9-13;;/h13-15H,2-12H2,1H3;2*1H
InChIKey
PGUYZLDAOXNGBM-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CCCCC1)CC1CCNCC1.Cl.Cl
Isomeric Smiles
N(CC1CCNCC1)(C1CCCCC1)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2796354
LogD (pH = 7.4)
-3.6668444
Log P
2.4506068
Molar Refractivity
70.7253
Polarizability
28.150137
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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