Molecule

ID:61792

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₂
Molecular Mass
127.14116
Exact Mass
127.06332853
Charge
0
InChI
InChI=1S/C6H9NO2/c8-5-1-6(2-7-5)3-9-4-6/h1-4H2,(H,7,8)
InChIKey
XOEBLSZYSCOXCH-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC2(C1)COC2
Isomeric Smiles
C1OCC21CNC(=O)C2
Calculated Properties
JChem
Acid pKa
14.319213
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2364744
LogD (pH = 7.4)
-1.2364744
Log P
-1.2364744
Molar Refractivity
31.1669
Polarizability
12.2825
Polar Surface Area
38.33
Rotatable Bonds
0
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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