Molecule

ID:62010

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₂
Molecular Mass
259.2755632
Exact Mass
259.10085691
Charge
0
InChI
InChI=1S/C15H14FNO2/c16-13-4-2-1-3-11(13)10-17-12-5-6-14-15(9-12)19-8-7-18-14/h1-6,9,17H,7-8,10H2
InChIKey
QHJHQJLKWLBVDH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNc1ccc2c(c1)OCCO2
Isomeric Smiles
c12cc(NCc3c(F)cccc3)ccc1OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7912
LogD (pH = 7.4)
2.825871
Log P
2.8263316
Molar Refractivity
72.0382
Polarizability
26.868967
Polar Surface Area
30.49
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