Molecule

ID:45551

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClFN₂O₂
Molecular Mass
294.7086832
Exact Mass
294.05713353
Charge
0
InChI
InChI=1S/C14H12ClFN2O2/c15-12-5-4-10(7-13(12)17)18-14(19)8-20-11-3-1-2-9(16)6-11/h1-7H,8,17H2,(H,18,19)
InChIKey
BCPJGGSFCWOMNE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)COc1cccc(c1)F
Isomeric Smiles
c1(cc(NC(=O)COc2cc(F)ccc2)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
12.540925
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.64541
LogD (pH = 7.4)
2.645674
Log P
2.6456804
Molar Refractivity
76.6047
Polarizability
28.21547
Polar Surface Area
64.35
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