Molecule

ID:37638

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-7(2)3-4-11-6-8(10(13)14)5-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKey
SPCHGSSOWADNDH-UHFFFAOYSA-N
Canonic Smiles
CC(CCN1CC(CC1=O)C(=O)O)C
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)CCC(C)C
Calculated Properties
JChem
Acid pKa
4.564975
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3480033
LogD (pH = 7.4)
-2.1220841
Log P
0.63363683
Molar Refractivity
51.6627
Polarizability
20.189966
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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