Molecule

ID:37643

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c1-2-3-4-10-6-7(9(12)13)5-8(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKey
LLPSQGIRADJCIU-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CC(CC1=O)C(=O)O
Isomeric Smiles
C1(C(=O)O)CN(C(=O)C1)CCCC
Calculated Properties
JChem
Acid pKa
4.49043
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7021747
LogD (pH = 7.4)
-2.4700868
Log P
0.34661776
Molar Refractivity
47.1141
Polarizability
18.36294
Polar Surface Area
57.61
Rotatable Bonds
4
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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