Molecule

ID:20066

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO
Molecular Mass
254.11196
Exact Mass
253.00611927
Charge
0
InChI
InChI=1S/C12H9Cl2NO/c13-8-2-1-3-10(6-8)16-12-5-4-9(15)7-11(12)14/h1-7H,15H2
InChIKey
HSMSLPVEQDFVRH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1cccc(c1)Cl
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8486588
LogD (pH = 7.4)
3.8526454
Log P
3.8526964
Molar Refractivity
66.6088
Polarizability
25.559315
Polar Surface Area
35.25
Rotatable Bonds
2
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