Molecule

ID:87187

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3
InChIKey
RMZSOGJUEUFCBK-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)CN=C=O
Isomeric Smiles
O(C(=O)CN=C=O)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.90515685
LogD (pH = 7.4)
0.90515685
Log P
0.90515685
Molar Refractivity
38.0655
Polarizability
14.967497
Polar Surface Area
55.73
Rotatable Bonds
6
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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