Molecule

ID:14775

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂
Molecular Mass
202.2275432
Exact Mass
202.09062658
Charge
0
InChI
InChI=1S/C12H11FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKey
ACUPPIKXBQWISN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1cccnc1
Isomeric Smiles
c1(NCc2cccnc2)ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0120819
LogD (pH = 7.4)
2.0943592
Log P
2.0955265
Molar Refractivity
58.9239
Polarizability
21.650263
Polar Surface Area
24.92
Rotatable Bonds
3
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