Molecule

ID:91299

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey
BAUWRHPMUVYFOD-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)O
Isomeric Smiles
N1(CCC(CC1)O)C
Calculated Properties
JChem
Acid pKa
15.179322
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7040055
LogD (pH = 7.4)
-2.1214104
Log P
-0.49177095
Molar Refractivity
33.7124
Polarizability
13.196873
Polar Surface Area
23.47
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
References
Bioactivity
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