Molecule

ID:47538

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClF₃NO₃
Molecular Mass
325.7113096
Exact Mass
325.06925569
Charge
0
InChI
InChI=1S/C13H14F3NO3.ClH/c1-19-12(18)10-6-8(7-17-10)20-11-5-3-2-4-9(11)13(14,15)16;/h2-5,8,10,17H,6-7H2,1H3;1H/t8-,10-;/m0./s1
InChIKey
ONFRMYCHLNBQNO-GNAZCLTHSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccccc1C(F)(F)F.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccccc1C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0809611
LogD (pH = 7.4)
2.062427
Log P
2.1130552
Molar Refractivity
64.3849
Polarizability
24.838463
Polar Surface Area
47.56
Rotatable Bonds
5
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