Molecule

ID:50977

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₄
Molecular Mass
251.70722
Exact Mass
251.09243574
Charge
0
InChI
InChI=1S/C10H17NO4.ClH/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2;/h7-8,11H,3-6H2,1-2H3;1H/t7-,8+;
InChIKey
FABUQPWYHQVSHK-KVZVIFLMSA-N
Canonic Smiles
CCOC(=O)[C@@H]1CNC[C@@H]1C(=O)OCC.Cl
Isomeric Smiles
[C@H]1([C@H](C(=O)OCC)CNC1)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1194823
LogD (pH = 7.4)
-1.7557709
Log P
-0.024373038
Molar Refractivity
53.4416
Polarizability
21.539658
Polar Surface Area
64.63
Rotatable Bonds
6
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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