Molecule

ID:20086

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉Cl₂NO
Molecular Mass
312.23416
Exact Mass
311.08436959
Charge
0
InChI
InChI=1S/C16H18ClNO.ClH/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17;/h4-10H,18H2,1-3H3;1H
InChIKey
IERIQMZDGJXONZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1ccc(cc1)C(C)(C)C.Cl
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1ccc(C(C)(C)C)cc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.787951
LogD (pH = 7.4)
4.793635
Log P
4.793708
Molar Refractivity
80.4699
Polarizability
30.969862
Polar Surface Area
35.25
Rotatable Bonds
3
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