Molecule

ID:115185

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₂N₂O₂
Molecular Mass
288.2489064
Exact Mass
288.07103401
Charge
0
InChI
InChI=1S/C15H10F2N2O2/c16-10-6-5-8(7-11(10)17)19-15(20)14-13(18)9-3-1-2-4-12(9)21-14/h1-7H,18H2,(H,19,20)
InChIKey
WHYMWXGRPGDNSV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)NC(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(o1)cccc2)N)C(=O)Nc1cc(c(cc1)F)F
Calculated Properties
JChem
Acid pKa
9.64507
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2507036
LogD (pH = 7.4)
3.248393
Log P
3.2507331
Molar Refractivity
75.4433
Polarizability
27.820024
Polar Surface Area
68.26
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