Molecule

ID:46674

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-10-3-4-12(13(7-10)15-2)16-9-11-5-6-14-8-11;/h3-4,7,11,14H,5-6,8-9H2,1-2H3;1H
InChIKey
YZIHFOVALDLCIQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)ccc(c1)C)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3669014
LogD (pH = 7.4)
-1.2082913
Log P
1.8726717
Molar Refractivity
64.3002
Polarizability
25.293705
Polar Surface Area
30.49
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