Molecule

ID:38116

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-9-6-8(7-10)4-2-3-5-8/h9-10H,2-7H2,1H3
InChIKey
SULZFQBYJXFVTO-UHFFFAOYSA-N
Canonic Smiles
OCC1(CCCC1)CNC
Isomeric Smiles
C1CCC(C1)(CO)CNC
Calculated Properties
JChem
Acid pKa
15.071809
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6487768
LogD (pH = 7.4)
-2.0071664
Log P
0.5740658
Molar Refractivity
42.0102
Polarizability
16.88203
Polar Surface Area
32.26
Rotatable Bonds
3
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