Molecule

ID:126293

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₃
Molecular Mass
119.11916
Exact Mass
119.05824315
Charge
0
InChI
InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChIKey
QQHZPQUHCAKSOL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)OCCCC
Isomeric Smiles
[O-][N+](=O)OCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7302735
LogD (pH = 7.4)
1.7302735
Log P
1.7302735
Molar Refractivity
28.8289
Polarizability
10.810944
Polar Surface Area
55.05
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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