Molecule

ID:123078

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNOS
Molecular Mass
227.2983632
Exact Mass
227.07801329
Charge
0
InChI
InChI=1S/C11H14FNOS/c1-14-8-2-3-9(10(12)6-8)11-7-15-5-4-13-11/h2-3,6,11,13H,4-5,7H2,1H3
InChIKey
HITWLKVEPQKCHO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)C1CSCCN1
Isomeric Smiles
c1(c(cc(cc1)OC)F)C1NCCSC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.46123546
LogD (pH = 7.4)
1.2694273
Log P
1.9375511
Molar Refractivity
61.0159
Polarizability
23.726486
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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