Molecule

ID:133702

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKey
XJODGRWDFZVTKW-UHFFFAOYSA-N
Canonic Smiles
CNC(C(=O)O)CC(C)C
Isomeric Smiles
CC(C)CC(C(=O)O)NC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.36
LogD (pH = 5.5)
-1.36
Log P
-1.36
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.42
Polar Surface Area
49.33
Polarizability
16.18
Molar Refractivity
38.95
LOG S
-1.01
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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