Molecule

ID:78129

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-7(11)8-2-4-10(5-3-8)6-9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChIKey
NPIMHNCSGPDOGU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCC(CC1)C(=O)C
Isomeric Smiles
N1(CC(=O)O)CCC(C(=O)C)CC1
Calculated Properties
JChem
Acid pKa
1.6684012
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6554525
LogD (pH = 7.4)
-2.66363
Log P
-2.6554947
Molar Refractivity
48.0057
Polarizability
18.733315
Polar Surface Area
57.61
Rotatable Bonds
3
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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