Molecule

ID:97049

General Information
Structure
Molecular Formula
C₁₄H₁₀FNS
Molecular Mass
243.2993032
Exact Mass
243.05179855
Charge
0
InChI
InChI=1S/C14H10FNS/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKey
MDOVOQVAOKWRLK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)Sc1ccc(cc1)C
Isomeric Smiles
S(c1ccc(cc1)C)c1cccc(c1C#N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.674215
LogD (pH = 7.4)
4.674215
Log P
4.674215
Molar Refractivity
69.7213
Polarizability
26.204628
Polar Surface Area
23.79
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