Molecule

ID:121793

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-6-5-9(3)7(2)4-8(6)10/h6-7H,4-5H2,1-3H3
InChIKey
VQHHMWWQNKUPKH-UHFFFAOYSA-N
Canonic Smiles
CC1CC(=O)C(CN1C)C
Isomeric Smiles
N1(CC(C(=O)CC1C)C)C
Calculated Properties
JChem
Acid pKa
18.229187
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.89225096
LogD (pH = 7.4)
0.7587966
Log P
1.1326941
Molar Refractivity
41.4568
Polarizability
16.334124
Polar Surface Area
20.31
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