Molecule

ID:76381

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO₂
Molecular Mass
265.73534
Exact Mass
265.08695644
Charge
0
InChI
InChI=1S/C14H15NO2.ClH/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12;/h2-9H,10,15H2,1H3;1H
InChIKey
LGVPTQJKRPUICR-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1ccc(cc1)CN.Cl
Isomeric Smiles
O(c1ccccc1OC)c1ccc(cc1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5439301
LogD (pH = 7.4)
0.41350332
Log P
2.4416301
Molar Refractivity
67.2354
Polarizability
26.553196
Polar Surface Area
44.48
Rotatable Bonds
4
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