Molecule

ID:112276

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₂
Molecular Mass
127.14116
Exact Mass
127.06332853
Charge
0
InChI
InChI=1S/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3
InChIKey
YLHUPYSUKYAIBW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCC1=O
Isomeric Smiles
CC(=O)N1CCCC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.591001
LogD (pH = 7.4)
-0.591001
Log P
-0.591001
Molar Refractivity
31.8238
Polarizability
12.384712
Polar Surface Area
37.38
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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