Molecule

ID:8321

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNS
Molecular Mass
153.1767632
Exact Mass
153.00484835
Charge
0
InChI
InChI=1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
HDBACITVPQEAGG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccc(c1)F
Isomeric Smiles
C(=Nc1cccc(c1)F)=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.137772
LogD (pH = 7.4)
3.137773
Log P
3.137773
Molar Refractivity
43.3373
Polarizability
15.672962
Polar Surface Area
12.36
Rotatable Bonds
1
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