Molecule

ID:20019

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClFNO
Molecular Mass
287.7160432
Exact Mass
287.05131988
Charge
0
InChI
InChI=1S/C16H11ClFNO/c17-13-6-8-15(12-4-2-1-3-11(12)13)20-16-7-5-10(18)9-14(16)19/h1-9H,19H2
InChIKey
DSTUUKQWGRGLTI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccc(c2c1cccc2)Cl
Isomeric Smiles
c1(c2c(c(cc1)Cl)cccc2)Oc1c(cc(cc1)F)N
Calculated Properties
JChem
Acid pKa
19.119581
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.380713
LogD (pH = 7.4)
4.380829
Log P
4.3808303
Molar Refractivity
78.4706
Polarizability
30.815718
Polar Surface Area
35.25
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