Molecule

ID:86373

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O₃S₂
Molecular Mass
374.47712
Exact Mass
374.07588445
Charge
0
InChI
InChI=1S/C18H18N2O3S2/c1-12-17(18(20-23-12)13-6-4-3-5-7-13)14-10-25-15(19-14)8-9-24-11-16(21)22-2/h3-7,10H,8-9,11H2,1-2H3
InChIKey
GNPAGSVILPNCHJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSCCc1scc(n1)c1c(C)onc1c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)c1csc(n1)CCSCC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7558513
LogD (pH = 7.4)
3.7560458
Log P
3.7560482
Molar Refractivity
99.9097
Polarizability
40.721134
Polar Surface Area
65.22
Rotatable Bonds
8
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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