Molecule

ID:20087

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-4-17(2,3)12-5-8-14(9-6-12)20-16-10-7-13(19)11-15(16)18/h5-11H,4,19H2,1-3H3
InChIKey
ONIRYFFCEJAVNA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)Oc1ccc(cc1Cl)N)(C)C
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1ccc(C(CC)(C)C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.2325273
LogD (pH = 7.4)
5.238204
Log P
5.2382765
Molar Refractivity
85.0709
Polarizability
32.813725
Polar Surface Area
35.25
Rotatable Bonds
4
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