Molecule

ID:130899

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
143.12817193
Exact Mass
143.1140806
Charge
0
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1+2,2+2,3+2,4+2,5+2,6+2
InChIKey
AGPKZVBTJJNPAG-YROCTSJKSA-N
Canonic Smiles
[14CH3][14CH2][14CH]([14CH]([14C](=O)O)N)[14CH3]
Isomeric Smiles
[14CH3][14CH2][14CH]([14CH3])[14CH]([14C](=O)O)N
Calculated Properties
JChem
Acid pKa
2.7913082
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5088165
LogD (pH = 7.4)
-1.5107228
Log P
-1.5084066
Molar Refractivity
34.0939
Polarizability
13.835553
Polar Surface Area
63.32
Rotatable Bonds
3
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
References
Bioactivity
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