Molecule

ID:28886

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12-10-13(2)17(14(3)11-12)19-8-9-20-16-7-5-4-6-15(16)18/h4-7,10-11,19H,8-9H2,1-3H3
InChIKey
VCSLJAMZCGNSIZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)NCCOc1ccccc1Cl
Isomeric Smiles
c1(c(cc(cc1C)C)C)NCCOc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1953616
LogD (pH = 7.4)
5.2338686
Log P
5.2343826
Molar Refractivity
86.7324
Polarizability
32.60086
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