Molecule

ID:100336

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₂O
Molecular Mass
186.1984864
Exact Mass
186.08562144
Charge
0
InChI
InChI=1S/C10H12F2O/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7H2,1H3
InChIKey
HYDIPEHDSUNHPA-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1F)F
Isomeric Smiles
Fc1c(cccc1F)OCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4248774
LogD (pH = 7.4)
3.4248774
Log P
3.4248774
Molar Refractivity
46.8276
Polarizability
17.74704
Polar Surface Area
9.23
Rotatable Bonds
4
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