Molecule

ID:76566

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂OS
Molecular Mass
238.38888
Exact Mass
238.13913632
Charge
0
InChI
InChI=1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey
NFVMNXZFSKGLDR-UHFFFAOYSA-N
Canonic Smiles
Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
Oc1c(cc(cc1C(C)(C)C)S)C(C)(C)C
Calculated Properties
JChem
Acid pKa
6.6786075
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
4.8262057
LogD (pH = 7.4)
4.1342845
Log P
4.853
Molar Refractivity
73.3805
Polarizability
28.570517
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation