Molecule

ID:82945

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₅S₂
Molecular Mass
381.4267
Exact Mass
381.0453126
Charge
0
InChI
InChI=1S/C15H15N3O5S2/c1-22-14(19)7-8-18(10-11-4-3-9-23-11)25(20,21)13-6-2-5-12-15(13)17-24-16-12/h2-6,9H,7-8,10H2,1H3
InChIKey
KCNXHSCYEONGAM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN(S(=O)(=O)c1cccc2c1nsn2)Cc1ccco1
Isomeric Smiles
S(=O)(=O)(c1cccc2nsnc12)N(Cc1ccco1)CCC(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8158677
LogD (pH = 7.4)
1.8158677
Log P
1.8158677
Molar Refractivity
91.0483
Polarizability
36.62745
Polar Surface Area
102.6
Rotatable Bonds
7
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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