Molecule

ID:113421

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c9-6-8-5-3-1-2-4-7(8)10/h9H,1-6H2
InChIKey
QBUDWHWPQWURCC-UHFFFAOYSA-N
Canonic Smiles
OCN1CCCCCC1=O
Isomeric Smiles
N1(C(=O)CCCCC1)CO
Calculated Properties
JChem
Acid pKa
14.018301
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.04679702
LogD (pH = 7.4)
-0.046797078
Log P
-0.046796974
Molar Refractivity
37.4584
Polarizability
14.750852
Polar Surface Area
40.54
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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