Molecule

ID:12613

General Information
Structure
MolImage
Molecular Formula
C₈H₂₄Cl₄N₄
Molecular Mass
318.11496
Exact Mass
316.07550751
Charge
0
InChI
InChI=1S/C8H20N4.4ClH/c9-1-3-11-5-7-12(4-2-10)8-6-11;;;;/h1-10H2;4*1H
InChIKey
HITABVDJOBJPJE-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)CCN.Cl.Cl.Cl.Cl
Isomeric Smiles
NCCN1CCN(CC1)CCN.Cl.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-8.3811655
LogD (pH = 7.4)
-5.5094666
Log P
-1.5566785
Molar Refractivity
51.9378
Polarizability
20.854433
Polar Surface Area
58.52
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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