Molecule

ID:15651

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅FN₂O
Molecular Mass
246.2801032
Exact Mass
246.11684133
Charge
0
InChI
InChI=1S/C14H15FN2O/c1-18-14-8-12(2-3-13(14)15)10-17-9-11-4-6-16-7-5-11/h2-8,17H,9-10H2,1H3
InChIKey
LGEJUGDOLGTEQF-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCc2ccncc2)ccc1F
Isomeric Smiles
c1(ccc(cc1OC)CNCc1ccncc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.75745165
LogD (pH = 7.4)
0.9269775
Log P
2.023426
Molar Refractivity
68.4413
Polarizability
26.393345
Polar Surface Area
34.15
Rotatable Bonds
5
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