Molecule

ID:60723

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃S₃
Molecular Mass
349.44774
Exact Mass
348.99010622
Charge
0
InChI
InChI=1S/C15H11NO3S3/c1-15(2)12-9(14(20)22-21-12)7-4-6(19-3)5-8-10(7)16(15)13(18)11(8)17/h4-5H,1-3H3
InChIKey
MQPQQCFOEPRGTC-UHFFFAOYSA-N
Canonic Smiles
COc1cc2C(=O)C(=O)N3c2c(c1)c1c(=S)ssc1C3(C)C
Isomeric Smiles
N12C(=O)C(=O)c3c2c(c2c(C1(C)C)ssc2=S)cc(c3)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8700423
LogD (pH = 7.4)
2.8700423
Log P
2.8700423
Molar Refractivity
94.6113
Polarizability
36.10594
Polar Surface Area
46.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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