Molecule

ID:29202

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H19Cl2NO/c1-11-4-5-12(2)17(8-11)21-13(3)10-20-16-9-14(18)6-7-15(16)19/h4-9,13,20H,10H2,1-3H3
InChIKey
BAEVJAJRNLMEEK-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc(C)ccc1C)CNc1cc(Cl)ccc1Cl
Isomeric Smiles
c1(OC(CNc2cc(ccc2Cl)Cl)C)c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
17.153774
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.74116
LogD (pH = 7.4)
5.7415752
Log P
5.7415805
Molar Refractivity
90.9148
Polarizability
34.522182
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
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