Molecule

ID:101272

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H17NO2.ClH/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14;/h4-6,9H,1-3,7-8,10H2,(H,15,16);1H
InChIKey
WLRKCNCUWGKDNO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)CN1CCCCC1.Cl
Isomeric Smiles
C(=O)(c1cc(CN2CCCCC2)ccc1)O.Cl
Calculated Properties
JChem
Acid pKa
3.4781854
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30900154
LogD (pH = 7.4)
-0.31568623
Log P
-0.30695197
Molar Refractivity
63.9989
Polarizability
24.491907
Polar Surface Area
40.54
Rotatable Bonds
3
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