Molecule

ID:26167

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClFNO
Molecular Mass
287.7160432
Exact Mass
287.05131988
Charge
0
InChI
InChI=1S/C16H11ClFNO/c17-14-5-3-6-15(18)13(14)9-19-8-11(10-20)12-4-1-2-7-16(12)19/h1-8,10H,9H2
InChIKey
HZVNCLOGBOUPGY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1c(F)cccc1Cl
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)Cc1c(F)cccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.479406
LogD (pH = 7.4)
4.479406
Log P
4.479406
Molar Refractivity
78.259
Polarizability
30.303736
Polar Surface Area
22.0
Rotatable Bonds
3
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