Molecule

ID:45782

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₄
Molecular Mass
251.70722
Exact Mass
251.09243574
Charge
0
InChI
InChI=1S/C10H17NO4.ClH/c1-6(2)9(12)15-7-4-8(11-5-7)10(13)14-3;/h6-8,11H,4-5H2,1-3H3;1H/t7-,8-;/m0./s1
InChIKey
UTGWVKHXEKXAPL-WSZWBAFRSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)C(C)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)OC(=O)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2875728
LogD (pH = 7.4)
0.5515789
Log P
0.5857026
Molar Refractivity
52.5042
Polarizability
21.539658
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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