Molecule

ID:69010

General Information
Structure
Molecular Formula
C₈H₂₀Cl₂N₂O₂S
Molecular Mass
279.2276
Exact Mass
278.06225425
Charge
0
InChI
InChI=1S/C8H18N2O2S.2ClH/c1-13(11,12)8-2-5-10-6-3-9-4-7-10;;/h9H,2-8H2,1H3;2*1H
InChIKey
PJVIZDQFMOUMPU-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)CCCN1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCNCC1)CCCS(=O)(=O)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.6650486
LogD (pH = 7.4)
-3.222335
Log P
-1.6061066
Molar Refractivity
54.0899
Polarizability
21.976345
Polar Surface Area
49.41
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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