Molecule

ID:9571

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClFNO
Molecular Mass
275.7053432
Exact Mass
275.05131988
Charge
0
InChI
InChI=1S/C15H11ClFNO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2
InChIKey
IMYWPHZDFVUXGJ-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OCc1c(F)cccc1Cl
Isomeric Smiles
O(c1ccc(cc1)CC#N)Cc1c(cccc1Cl)F
Calculated Properties
JChem
Acid pKa
14.22217
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9824915
LogD (pH = 7.4)
3.9824913
Log P
3.9824915
Molar Refractivity
72.4419
Polarizability
27.505281
Polar Surface Area
33.02
Rotatable Bonds
4
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