Molecule

ID:3988

General Information
Structure
Molecular Formula
C₅H₁₂NO+
Molecular Mass
102.15488
Exact Mass
102.09188901
Charge
1
InChI
InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
InChIKey
SXKNCCSPZDCRFD-UHFFFAOYSA-N
Canonic Smiles
O=CC[N+](C)(C)C
Isomeric Smiles
C[N+](C)(C)CC=O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.65
LogD (pH = 5.5)
-4.65
Log P
-4.65
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-8.18
Polar Surface Area
17.07
Polarizability
11.64
Molar Refractivity
41.06
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation