Molecule

ID:69327

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m0./s1
InChIKey
LKKCSUHCVGCGFA-GEMLJDPKSA-N
Canonic Smiles
N[C@H]1CCCC[C@@H]1O.Cl
Isomeric Smiles
[C@H]1([C@H](CCCC1)N)O.Cl
Calculated Properties
JChem
Acid pKa
14.611771
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9152315
LogD (pH = 7.4)
-2.2774904
Log P
0.09890806
Molar Refractivity
32.2945
Polarizability
13.196873
Polar Surface Area
46.25
Rotatable Bonds
0
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
References
Bioactivity
Navigation