Molecule

ID:48110

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀Cl₂N₂
Molecular Mass
297.3074
Exact Mass
296.17860433
Charge
0
InChI
InChI=1S/C14H28N2.2ClH/c1-16(14-7-3-2-4-8-14)11-9-13-6-5-10-15-12-13;;/h13-15H,2-12H2,1H3;2*1H
InChIKey
ZKYQTFDOOFBZEO-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCCC1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N(CCC1CNCCC1)(C1CCCCC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1894608
LogD (pH = 7.4)
-3.4341521
Log P
2.5383675
Molar Refractivity
70.5777
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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