Molecule

ID:88258

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m1/s1
InChIKey
JBULSURVMXPBNA-RXMQYKEDSA-N
Canonic Smiles
OC[C@H](C(C)(C)C)N
Isomeric Smiles
N[C@H](CO)C(C)(C)C
Calculated Properties
JChem
Acid pKa
15.111353
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.632082
LogD (pH = 7.4)
-1.7896323
Log P
0.3665102
Molar Refractivity
34.0236
Polarizability
13.926987
Polar Surface Area
46.25
Rotatable Bonds
2
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