Molecule

ID:54755

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂Cl₄N₄
Molecular Mass
422.26408
Exact Mass
420.13810776
Charge
0
InChI
InChI=1S/C16H32Cl2N4.2ClH/c17-1-3-19-5-9-21(10-6-19)13-15-22(16-14-21)11-7-20(4-2-18)8-12-22;;/h1-16H2;2*1H/q+2;;/p-2
InChIKey
OYWCUEAJSZQIEE-UHFFFAOYSA-L
Canonic Smiles
ClCCN1CC[N+]2(CC1)CC[N+]1(CC2)CCN(CC1)CCCl.[Cl-].[Cl-]
Isomeric Smiles
[N+]12(CC[N+]3(CC1)CCN(CC3)CCCl)CCN(CC2)CCCl.[Cl-].[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-9.192894
LogD (pH = 7.4)
-7.3498287
Log P
-7.2641654
Molar Refractivity
118.6522
Polarizability
37.64006
Polar Surface Area
6.48
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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