Molecule

ID:90682

General Information
Structure
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-10(2,11)8-6-4-5-7-9(8)12-3;/h4-7H,11H2,1-3H3;1H
InChIKey
YHQHTXFCLGHENC-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(N)(C)C.Cl
Isomeric Smiles
O(c1c(cccc1)C(C)(C)N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3433217
LogD (pH = 7.4)
-0.35840896
Log P
1.6384947
Molar Refractivity
50.0516
Polarizability
19.912262
Polar Surface Area
35.25
Rotatable Bonds
2
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