Molecule

ID:86264

General Information
Structure
Molecular Formula
C₁₄H₁₃NO₃S
Molecular Mass
275.32292
Exact Mass
275.06161428
Charge
0
InChI
InChI=1S/C14H13NO3S/c1-18-14(16)12-7-5-11(6-8-12)10-19-13-4-2-3-9-15(13)17/h2-9H,10H2,1H3
InChIKey
USMSBNPSFGBGKP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CSc1cccc[n+]1[O-]
Isomeric Smiles
[n+]1(ccccc1SCc1ccc(cc1)C(=O)OC)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.354683
LogD (pH = 7.4)
2.3546836
Log P
2.3546836
Molar Refractivity
76.2584
Polarizability
28.812918
Polar Surface Area
51.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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