Molecule

ID:16625

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)
InChIKey
DZQZKPNTCXAUKJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)C1CCCC1
Isomeric Smiles
N1(C2CCCC2)CC(CC1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
4.39483
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7589378
LogD (pH = 7.4)
-2.5145643
Log P
0.3774206
Molar Refractivity
49.6537
Polarizability
19.479185
Polar Surface Area
57.61
Rotatable Bonds
2
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
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References
Bioactivity
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