Molecule

ID:44313

General Information
Structure
Molecular Formula
C₁₆H₁₇NOS
Molecular Mass
271.37728
Exact Mass
271.10308517
Charge
0
InChI
InChI=1S/C16H17NOS/c1-2-4-13(5-3-1)12-18-15-8-6-14(7-9-15)16-17-10-11-19-16/h1-9,16-17H,10-12H2
InChIKey
FYAJTHNVORAUAP-UHFFFAOYSA-N
Canonic Smiles
C1CSC(N1)c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C1(NCCS1)c1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3340329
LogD (pH = 7.4)
3.0560453
Log P
3.65708
Molar Refractivity
80.5173
Polarizability
31.85541
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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