Molecule

ID:46518

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-10-6-11(2)12(3)14(7-10)16-9-13-4-5-15-8-13;/h6-7,13,15H,4-5,8-9H2,1-3H3;1H
InChIKey
FNAOVPVSPCJJBF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCC2CCNC2)c(c(c1)C)C.Cl
Isomeric Smiles
c1(c(c(cc(c1)C)C)C)OCC1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18238738
LogD (pH = 7.4)
-0.023777453
Log P
3.0571856
Molar Refractivity
67.9194
Polarizability
26.324747
Polar Surface Area
21.26
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