Molecule
ID:55327
General Information
Molecular Formula
C₈H₁₆ClN
Molecular Mass
161.67234
Exact Mass
161.0971272
Charge
0
InChI
InChI=1S/C8H15N.ClH/c1-3-8(4-1)5-2-6-9-7-8;/h9H,1-7H2;1H
InChIKey
IELLPRWHLZJJIN-UHFFFAOYSA-N
Canonic Smiles
C1CCC2(CN1)CCC2.Cl
Isomeric Smiles
C12(CCC1)CNCCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8495787
LogD (pH = 7.4)
-1.3748237
Log P
1.3813041
Molar Refractivity
38.5039
Polarizability
15.551486
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...