Molecule

ID:83505

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClO₃S
Molecular Mass
300.80098
Exact Mass
300.05869308
Charge
0
InChI
InChI=1S/C14H17ClO3S/c1-9-2-5-11(6-3-9)19(16,17)18-13-8-10-4-7-12(13)14(10)15/h2-3,5-6,10,12-14H,4,7-8H2,1H3/t10?,12?,13-,14?/m1/s1
InChIKey
BIUHZYBFROEDBT-WWCKNBSSSA-N
Canonic Smiles
ClC1C2CCC1[C@@H](C2)OS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)O[C@H]1C2C(Cl)C(C1)CC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6758864
LogD (pH = 7.4)
3.6758864
Log P
3.6758864
Molar Refractivity
74.3799
Polarizability
30.209166
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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