Molecule

ID:114851

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃
Molecular Mass
205.2314832
Exact Mass
205.10152562
Charge
0
InChI
InChI=1S/C11H12FN3/c1-15-6-5-14-11(15)10(13)8-3-2-4-9(12)7-8/h2-7,10H,13H2,1H3
InChIKey
MJRFADGYJSKDSG-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(c1nccn1C)N
Isomeric Smiles
c1(n(ccn1)C)C(c1cc(F)ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.62540483
LogD (pH = 7.4)
0.96648896
Log P
1.356518
Molar Refractivity
56.2842
Polarizability
21.512808
Polar Surface Area
43.84
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