Molecule

ID:71111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FN₂O₂
Molecular Mass
270.2584432
Exact Mass
270.08045582
Charge
0
InChI
InChI=1S/C15H11FN2O2/c1-20-11-5-3-10(4-6-11)17-14-12-8-9(16)2-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKey
YNBXJTVDBJNZSN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/N=C/1\C(=O)Nc2c1cc(F)cc2
Isomeric Smiles
N1C(=O)/C(=N\c2ccc(cc2)OC)/c2cc(ccc12)F
Calculated Properties
JChem
Acid pKa
10.171639
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0983238
LogD (pH = 7.4)
3.0976353
Log P
3.098333
Molar Refractivity
75.9002
Polarizability
26.960028
Polar Surface Area
50.69
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