Molecule

ID:100666

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FN₂O₃
Molecular Mass
274.2471432
Exact Mass
274.07537044
Charge
0
InChI
InChI=1S/C14H11FN2O3/c1-20-14(19)11-6-7-16-8-12(11)13(18)17-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18)
InChIKey
DJQFWZZEDRTVFZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccncc1C(=O)Nc1ccc(cc1)F
Isomeric Smiles
n1cc(c(cc1)C(=O)OC)C(=O)Nc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
10.351543
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9934659
LogD (pH = 7.4)
1.993174
Log P
1.9936371
Molar Refractivity
71.6763
Polarizability
26.200125
Polar Surface Area
68.29
Rotatable Bonds
4
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