Molecule

ID:45508

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O
Molecular Mass
244.2642232
Exact Mass
244.10119127
Charge
0
InChI
InChI=1S/C14H13FN2O/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(15)6-4-10/h2-8H,16H2,1H3,(H,17,18)
InChIKey
MQKGCHBTHYYTQV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)Nc1ccc(c(c1)N)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)C)N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
13.14788
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8880544
LogD (pH = 7.4)
2.8922732
Log P
2.892328
Molar Refractivity
71.5495
Polarizability
25.495787
Polar Surface Area
55.12
Rotatable Bonds
2
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