Molecule

ID:41348

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₂
Molecular Mass
245.1978096
Exact Mass
245.06636323
Charge
0
InChI
InChI=1S/C11H10F3NO2/c1-10(6-17-10)9(16)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKey
KBAIZDIRTZZBAQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(C)CO1)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
C1(OC1)(C(=O)Nc1cc(ccc1)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
12.499786
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3878803
LogD (pH = 7.4)
2.387877
Log P
2.3878803
Molar Refractivity
55.8377
Polarizability
20.11526
Polar Surface Area
41.63
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