Molecule

ID:97367

General Information
Structure
Molecular Formula
C₁₈H₁₃F₅O₄
Molecular Mass
388.285436
Exact Mass
388.0734
Charge
0
InChI
InChI=1S/C18H13F5O4/c19-12-13(20)15(22)17(16(23)14(12)21)27-18(24)10-3-1-2-4-11(10)26-9-5-7-25-8-6-9/h1-4,9H,5-8H2
InChIKey
WYPMTMHPUSJKHI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OC1CCOCC1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)F)OC(=O)c1c(cccc1)OC1CCOCC1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1517057
LogD (pH = 7.4)
4.1517057
Log P
4.1517057
Molar Refractivity
83.8816
Polarizability
31.216663
Polar Surface Area
44.76
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