Molecule

ID:74466

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6+;
InChIKey
RKTQEVMZBCBOSB-KNCHESJLSA-N
Canonic Smiles
N[C@@H]1CC[C@@H](CC1)O.Cl
Isomeric Smiles
O[C@@H]1CC[C@@H](CC1)N.Cl
Calculated Properties
JChem
Acid pKa
15.25663
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2356453
LogD (pH = 7.4)
-2.7809699
Log P
-0.21290687
Molar Refractivity
32.6025
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