Molecule

ID:31965

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c14-10(13-7-3-4-8-13)9-12(11(15)16)5-1-2-6-12/h1-9H2,(H,15,16)
InChIKey
FGPJYONSNQPOSL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)CC1(CCCC1)C(=O)O
Isomeric Smiles
C(=O)(N1CCCC1)CC1(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
4.506364
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1377748
LogD (pH = 7.4)
-1.6317023
Log P
1.1721361
Molar Refractivity
59.1689
Polarizability
23.135937
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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