Molecule

ID:40117

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClFNO
Molecular Mass
263.6946432
Exact Mass
263.05131988
Charge
0
InChI
InChI=1S/C14H11ClFNO/c15-11-5-12(16)13(6-14(11)18)17-7-9-3-1-2-4-10(9)8-17/h1-6,18H,7-8H2
InChIKey
FWTNWYRZMTYSHL-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1N1Cc2c(C1)cccc2)O
Isomeric Smiles
N1(c2cc(c(cc2F)Cl)O)Cc2c(C1)cccc2
Calculated Properties
JChem
Acid pKa
7.8481417
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9982405
LogD (pH = 7.4)
3.868833
Log P
4.000171
Molar Refractivity
70.6559
Polarizability
26.17198
Polar Surface Area
23.47
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