Molecule

ID:79930

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3
InChIKey
UNSDDJQNHCSVSW-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/C(C)(C)C)\C
Isomeric Smiles
N(=C(\C(C)(C)C)/C)/O
Calculated Properties
JChem
Acid pKa
11.294665
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9133825
LogD (pH = 7.4)
1.9152133
Log P
1.9152961
Molar Refractivity
33.7189
Polarizability
13.198689
Polar Surface Area
32.59
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
No Data Available
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Molecule Details
References
Bioactivity
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