Molecule

ID:45764

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO₄
Molecular Mass
237.68064
Exact Mass
237.07678568
Charge
0
InChI
InChI=1S/C9H15NO4.ClH/c1-3-8(11)14-6-4-7(10-5-6)9(12)13-2;/h6-7,10H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKey
WUBOLELHORDRIB-LEUCUCNGSA-N
Canonic Smiles
CCC(=O)O[C@@H]1CN[C@@H](C1)C(=O)OC.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)OC(=O)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.83056563
LogD (pH = 7.4)
0.008592056
Log P
0.04271629
Molar Refractivity
47.9297
Polarizability
19.713743
Polar Surface Area
64.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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