Molecule

ID:20540

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO
Molecular Mass
217.2388832
Exact Mass
217.09029223
Charge
0
InChI
InChI=1S/C13H12FNO/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11/h2-8H,15H2,1H3
InChIKey
XGIQHJPZLVXVKD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)Oc1ccc(F)cc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2871618
LogD (pH = 7.4)
3.300557
Log P
3.3007305
Molar Refractivity
62.2568
Polarizability
23.20776
Polar Surface Area
35.25
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