Molecule

ID:125566

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂S
Molecular Mass
310.45484
Exact Mass
310.17149908
Charge
0
InChI
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
InChIKey
JKGIMVBQKSRTGX-UHFFFAOYSA-N
Canonic Smiles
COCCn1/c(=N/C(=O)C2C(C2(C)C)(C)C)/sc(c1C)C
Isomeric Smiles
Cc1c(s/c(=N\C(=O)C2C(C2(C)C)(C)C)/n1CCOC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6760552
LogD (pH = 7.4)
2.6760554
Log P
2.6760554
Molar Refractivity
89.6841
Polarizability
34.21978
Polar Surface Area
41.9
Rotatable Bonds
4
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
References
Bioactivity
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