Molecule

ID:55743

General Information
Structure
MolImage
Molecular Formula
C₆H₂₀Cl₂N₂O₃
Molecular Mass
239.1406
Exact Mass
238.08509787
Charge
0
InChI
InChI=1S/C6H14N2O.2ClH.2H2O/c7-3-5-8-4-1-2-6-9-8;;;;/h1-7H2;2*1H;2*1H2
InChIKey
FVHRQBJSMZAZDJ-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCCO1.O.O.Cl.Cl
Isomeric Smiles
C1ON(CCC1)CCN.Cl.Cl.O.O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.552284
LogD (pH = 7.4)
-2.460751
Log P
-0.58795184
Molar Refractivity
36.4311
Polarizability
14.7968
Polar Surface Area
38.49
Rotatable Bonds
2
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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