Molecule

ID:23305

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₂
Molecular Mass
274.2902032
Exact Mass
274.11175595
Charge
0
InChI
InChI=1S/C15H15FN2O2/c1-2-20-12-5-3-4-10(8-12)15(19)18-14-9-11(17)6-7-13(14)16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKey
JPZXFGSIRMKQAY-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1cc(OCC)ccc1
Calculated Properties
JChem
Acid pKa
10.606883
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.574525
LogD (pH = 7.4)
2.57774
Log P
2.5780432
Molar Refractivity
77.7201
Polarizability
28.10697
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