Molecule

ID:96495

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₃F₃N
Molecular Mass
302.5076096
Exact Mass
300.94396687
Charge
0
InChI
InChI=1S/C10H5Cl3F3N/c11-6(4-17)3-7-8(12)1-5(2-9(7)13)10(14,15)16/h1-2,6H,3H2
InChIKey
SNWKIBZOADQKKI-UHFFFAOYSA-N
Canonic Smiles
N#CC(Cc1c(Cl)cc(cc1Cl)C(F)(F)F)Cl
Isomeric Smiles
N#CC(Cc1c(cc(cc1Cl)C(F)(F)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6829753
LogD (pH = 7.4)
4.6829753
Log P
4.6829753
Molar Refractivity
61.0724
Polarizability
22.765062
Polar Surface Area
23.79
Rotatable Bonds
3
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