Molecule

ID:67367

General Information
Structure
Molecular Formula
C₉H₁₈ClNO₄
Molecular Mass
239.69652
Exact Mass
239.09243574
Charge
0
InChI
InChI=1S/C9H17NO4.ClH/c1-9(2,3)14-7(11)5-6(10)8(12)13-4;/h6H,5,10H2,1-4H3;1H/t6-;/m0./s1
InChIKey
SFYKWYAIJZEDNG-RGMNGODLSA-N
Canonic Smiles
COC(=O)[C@H](CC(=O)OC(C)(C)C)N.Cl
Isomeric Smiles
C(=O)([C@@H](N)CC(=O)OC(C)(C)C)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.88441324
LogD (pH = 7.4)
0.077125624
Log P
0.12522453
Molar Refractivity
49.8765
Polarizability
20.423367
Polar Surface Area
78.62
Rotatable Bonds
6
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