Molecule

ID:31484

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂O₂S
Molecular Mass
279.2276
Exact Mass
278.06225425
Charge
0
InChI
InChI=1S/C8H18N2O2S.2ClH/c1-10(2)5-4-9-8-3-6-13(11,12)7-8;;/h8-9H,3-7H2,1-2H3;2*1H
InChIKey
LSKGUXSKEGCOEX-UHFFFAOYSA-N
Canonic Smiles
CN(CCNC1CCS(=O)(=O)C1)C.Cl.Cl
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCN(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.166501
LogD (pH = 7.4)
-2.464978
Log P
-1.3941504
Molar Refractivity
53.2635
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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