Molecule

ID:19476

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FN
Molecular Mass
201.2394832
Exact Mass
201.09537761
Charge
0
InChI
InChI=1S/C13H12FN/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8H,9,15H2
InChIKey
KPHPQMNKRDPHQR-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1c1ccccc1F
Isomeric Smiles
c1(c2c(CN)cccc2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1120478
LogD (pH = 7.4)
0.7049454
Log P
2.8889415
Molar Refractivity
59.884
Polarizability
24.351215
Polar Surface Area
26.02
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