Molecule

ID:119299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N
Molecular Mass
224.17056
Exact Mass
223.08945497
Charge
0
InChI
InChI=1S/C10H18ClN.ClH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8H2;1H/t9-,10+;/m0./s1
InChIKey
YHEVYKPWGOEQPR-BAUSSPIASA-N
Canonic Smiles
ClC[C@@H]1CCCN2[C@@H]1CCCC2.Cl
Isomeric Smiles
N12[C@@H]([C@H](CCl)CCC1)CCCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.1365298
LogD (pH = 7.4)
0.055482347
Log P
2.2751117
Molar Refractivity
53.2948
Polarizability
21.030443
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