Molecule

ID:124152

General Information
Structure
Molecular Formula
C₁₅H₁₈ClNO₂
Molecular Mass
279.76192
Exact Mass
279.1026065
Charge
0
InChI
InChI=1S/C15H17NO2.ClH/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12;/h2-9H,10-11,16H2,1H3;1H
InChIKey
GDLRFQRWGFHZLI-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1OCc1ccccc1)OC.Cl
Isomeric Smiles
c1(OCc2ccccc2)c(CN)cccc1OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.36946714
LogD (pH = 7.4)
1.0085679
Log P
2.5081449
Molar Refractivity
72.0704
Polarizability
28.336353
Polar Surface Area
44.48
Rotatable Bonds
5
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