Molecule

ID:122585

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₄S
Molecular Mass
271.76152
Exact Mass
271.06450674
Charge
0
InChI
InChI=1S/C9H17NO4S.ClH/c1-14-9(11)3-2-5-10-8-4-6-15(12,13)7-8;/h8,10H,2-7H2,1H3;1H
InChIKey
BLPCVOGRSIYSBJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCNC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCCC(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.8931446
LogD (pH = 7.4)
-2.16932
Log P
-1.2632436
Molar Refractivity
55.5525
Polarizability
23.127432
Polar Surface Area
72.47
Rotatable Bonds
6
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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