Molecule

ID:118851

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrClN₂O
Molecular Mass
273.51374
Exact Mass
271.9352025
Charge
0
InChI
InChI=1S/C9H6BrClN2O/c1-5-12-9(13-14-5)6-2-3-7(10)8(11)4-6/h2-4H,1H3
InChIKey
OTCCOOYSTQRTCS-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1ccc(c(c1)Cl)Br
Isomeric Smiles
n1c(noc1C)c1cc(c(cc1)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.692913
LogD (pH = 7.4)
3.692913
Log P
3.692913
Molar Refractivity
68.9535
Polarizability
22.293793
Polar Surface Area
38.92
Rotatable Bonds
1
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