Molecule

ID:55711

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClN
Molecular Mass
267.83734
Exact Mass
267.17537752
Charge
0
InChI
InChI=1S/C16H25N.ClH/c1-12-2-4-17(5-3-12)16-9-13-6-14(10-16)8-15(7-13)11-16;/h2,13-15H,3-11H2,1H3;1H
InChIKey
ODJYZUHPLYGQKV-UHFFFAOYSA-N
Canonic Smiles
CC1=CCN(CC1)C12CC3CC(C2)CC(C1)C3.Cl
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)N1CCC(=CC1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.32616922
LogD (pH = 7.4)
-0.011416203
Log P
3.169289
Molar Refractivity
72.9915
Polarizability
28.608938
Polar Surface Area
3.24
Rotatable Bonds
1
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