Molecule

ID:110710

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3
InChIKey
ZKALVNREMFLWAN-UHFFFAOYSA-N
Canonic Smiles
CC(C/C(=N/O)/C)C
Isomeric Smiles
CC(C)C/C(=N/O)/C
Calculated Properties
JChem
Acid pKa
11.607454
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5450727
LogD (pH = 7.4)
1.5478184
Log P
1.5478832
Molar Refractivity
33.793
Polarizability
13.198689
Polar Surface Area
32.59
Rotatable Bonds
2
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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