Molecule

ID:28787

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClF₃NO
Molecular Mass
315.7180296
Exact Mass
315.06377638
Charge
0
InChI
InChI=1S/C15H13ClF3NO/c16-13-6-1-2-7-14(13)21-9-8-20-12-5-3-4-11(10-12)15(17,18)19/h1-7,10,20H,8-9H2
InChIKey
PMUMMKZLEYLMCM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1OCCNc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NCCOc2c(Cl)cccc2)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.565741
LogD (pH = 7.4)
4.571888
Log P
4.5719666
Molar Refractivity
77.5825
Polarizability
28.395021
Polar Surface Area
21.26
Rotatable Bonds
6
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