Molecule

ID:68903

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2
InChIKey
NIQIPYGXPZUDDP-UHFFFAOYSA-N
Canonic Smiles
NC1CCCC(C1)O
Isomeric Smiles
C1(CC(CCC1)N)O
Calculated Properties
JChem
Acid pKa
15.212238
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3066347
LogD (pH = 7.4)
-2.8062346
Log P
-0.28570086
Molar Refractivity
32.5589
Polarizability
13.196873
Polar Surface Area
46.25
Rotatable Bonds
0
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
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References
Bioactivity
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