Molecule

ID:63307

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
UKANCZCEGQDKGF-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)O
Isomeric Smiles
C1N(C)CCCC1O
Calculated Properties
JChem
Acid pKa
14.887095
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3140895
LogD (pH = 7.4)
-1.8111246
Log P
-0.03436801
Molar Refractivity
33.4916
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation