Molecule

ID:57952

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-2-3-9(12)11-6-4-8(5-7-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKey
MTJRPNQAZYWTDD-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)N1CCC(CC1)C(=O)O
Isomeric Smiles
N1(C(=O)CCC)CCC(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.588517
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3253983
LogD (pH = 7.4)
-2.100814
Log P
0.63527894
Molar Refractivity
51.8691
Polarizability
20.189966
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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