Molecule

ID:57567

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c10-6-5-9-3-1-7(2-4-9)8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKey
LZJPEZQINGNPQY-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCC(CC1)C(=O)O
Isomeric Smiles
C1CN(CCC1C(=O)O)CCO
Calculated Properties
JChem
Acid pKa
4.0511994
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.167309
LogD (pH = 7.4)
-3.1607997
Log P
-3.1574502
Molar Refractivity
44.6623
Polarizability
17.444298
Polar Surface Area
60.77
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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