Molecule

ID:118857

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClFN₂
Molecular Mass
258.6781232
Exact Mass
258.03600417
Charge
0
InChI
InChI=1S/C14H8ClFN2/c15-13-11-3-1-2-4-12(11)17-14(18-13)9-5-7-10(16)8-6-9/h1-8H
InChIKey
CKOPPMRJZDRZBH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc(Cl)c2c(n1)cccc2
Isomeric Smiles
n1c(nc2c(c1Cl)cccc2)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7905827
LogD (pH = 7.4)
4.7906036
Log P
4.790604
Molar Refractivity
80.2941
Polarizability
27.9127
Polar Surface Area
25.78
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