Molecule

ID:10500

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2
InChIKey
RWMVCOUKVCLWIC-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCCCC1=O
Isomeric Smiles
C1CCC(=O)C(C1)C#N
Calculated Properties
JChem
Acid pKa
8.768383
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2805907
LogD (pH = 7.4)
1.2628311
Log P
1.280822
Molar Refractivity
33.5184
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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