Molecule

ID:95199

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClF₃NO₃
Molecular Mass
345.7009496
Exact Mass
345.03795556
Charge
0
InChI
InChI=1S/C15H11ClF3NO3/c16-9-14(21)20-10-1-3-11(4-2-10)22-12-5-7-13(8-6-12)23-15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKey
DCLONELCOISYNG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
N(c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.833695
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.679699
LogD (pH = 7.4)
4.6796985
Log P
4.679699
Molar Refractivity
74.9853
Polarizability
29.306995
Polar Surface Area
47.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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