Molecule

ID:96178

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂F₂N₂O₃
Molecular Mass
335.0904464
Exact Mass
333.97235386
Charge
0
InChI
InChI=1S/C12H6Cl2F2N2O3/c13-6-4-17-18(11(19)10(6)14)5-21-12(20)9-7(15)2-1-3-8(9)16/h1-4H,5H2
InChIKey
BTLBOHNTJOYMQQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(F)cccc1F)OCn1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c(=O)c(c(Cl)cn1)Cl)COC(=O)c1c(cccc1F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1929772
LogD (pH = 7.4)
3.1929772
Log P
3.1929772
Molar Refractivity
71.7968
Polarizability
26.593832
Polar Surface Area
58.97
Rotatable Bonds
4
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