Molecule
ID:71940
General Information
Molecular Formula
C₅H₄ClFN₂O
Molecular Mass
162.5494632
Exact Mass
161.99961866
Charge
0
InChI
InChI=1S/C5H4ClFN2O/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChIKey
HLVJKADQILYNGE-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)ncc1F
Isomeric Smiles
c1nc(nc(c1F)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.537774
LogD (pH = 7.4)
1.537774
Log P
1.537774
Molar Refractivity
35.214
Polarizability
12.9682255
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...