Molecule
ID:119205
General Information
Molecular Formula
C₁₇H₂₀ClNO₂
Molecular Mass
305.7992
Exact Mass
305.11825657
Charge
0
InChI
InChI=1S/C17H19NO2.ClH/c1-18-10-9-12-5-3-4-6-14(12)16-13(11-18)7-8-15(20-2)17(16)19;/h3-8,19H,9-11H2,1-2H3;1H
InChIKey
KIVTXMKWQLVGKL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1O)c1ccccc1CCN(C2)C.Cl
Isomeric Smiles
c12c(CN(CCc3c2cccc3)C)ccc(c1O)OC.Cl
Calculated Properties
JChem
Acid pKa
9.65025
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0845932
LogD (pH = 7.4)
2.7429364
Log P
3.1405199
Molar Refractivity
81.4906
Polarizability
32.537838
Polar Surface Area
32.7
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...