Molecule

ID:81178

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₂NO
Molecular Mass
264.10678
Exact Mass
262.99046921
Charge
0
InChI
InChI=1S/C13H7Cl2NO/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChIKey
UTLUAJUFCRYPDL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1Oc1ccc(cc1Cl)Cl
Isomeric Smiles
O(c1c(cc(cc1)Cl)Cl)c1ccccc1C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.537719
LogD (pH = 7.4)
4.537719
Log P
4.537719
Molar Refractivity
67.63
Polarizability
26.250774
Polar Surface Area
33.02
Rotatable Bonds
2
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