Molecule

ID:70737

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2
InChIKey
QIWQJGMBIABGRX-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCC(=O)CC1
Isomeric Smiles
C1(CCC(=O)CC1)C#N
Calculated Properties
JChem
Acid pKa
18.937315
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76888764
LogD (pH = 7.4)
0.76888764
Log P
0.76888764
Molar Refractivity
33.4666
Polarizability
12.819875
Polar Surface Area
40.86
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
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Molecule Details
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References
Bioactivity
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