Molecule

ID:88797

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCN1
Isomeric Smiles
N1CCCCCC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.31
LogD (pH = 5.5)
0.31
Log P
0.31
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.99
Polar Surface Area
29.10
Polarizability
12.48
Molar Refractivity
31.46
LOG S
-0.13
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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