Molecule

ID:71693

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c11-8-4-2-1-3-6-10(8)7-5-9(12)13/h1-7H2,(H,12,13)
InChIKey
LVIWUACEPGXDSG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCCCCC1=O
Isomeric Smiles
C1CCN(C(=O)CC1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.5458584
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7505614
LogD (pH = 7.4)
-2.5233412
Log P
0.24820015
Molar Refractivity
47.1406
Polarizability
18.36294
Polar Surface Area
57.61
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
No Data Available
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Molecule Details
References
Bioactivity
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