Molecule

ID:110990

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
InChIKey
YRDNVESFWXDNSI-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)NC(CC(C)(C)C)(C)C
Isomeric Smiles
CC(C)(C)CC(C)(C)NC(=O)C=C
Calculated Properties
JChem
Acid pKa
16.408382
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5576847
LogD (pH = 7.4)
2.5577962
Log P
2.5577977
Molar Refractivity
55.9646
Polarizability
21.963903
Polar Surface Area
29.1
Rotatable Bonds
4
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