Molecule

ID:68751

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m1/s1
InChIKey
VUNPWIPIOOMCPT-ZCFIWIBFSA-N
Canonic Smiles
OC[C@@H]1CCCNC1
Isomeric Smiles
C(O)[C@H]1CNCCC1
Calculated Properties
JChem
Acid pKa
15.431922
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5895507
LogD (pH = 7.4)
-2.8573127
Log P
-0.3726614
Molar Refractivity
33.1369
Polarizability
13.196873
Polar Surface Area
32.26
Rotatable Bonds
1
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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