Molecule

ID:45647

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₄
Molecular Mass
187.19312
Exact Mass
187.0844579
Charge
0
InChI
InChI=1S/C8H13NO4/c1-13-5-7(10)9-4-2-3-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKey
FWRWEUVVHSNRGE-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)N1CCCC1C(=O)O
Isomeric Smiles
N1(C(C(=O)O)CCC1)C(=O)COC
Calculated Properties
JChem
Acid pKa
3.802838
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3607752
LogD (pH = 7.4)
-3.9223976
Log P
-0.6613207
Molar Refractivity
44.0836
Polarizability
17.295618
Polar Surface Area
66.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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