Molecule

ID:69061

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO
Molecular Mass
125.16834
Exact Mass
125.08406398
Charge
0
InChI
InChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-4H2
InChIKey
WXWQWXGBEHIOBL-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)C#N
Isomeric Smiles
C1(CCC(CC1)O)C#N
Calculated Properties
JChem
Acid pKa
17.706217
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5613868
LogD (pH = 7.4)
0.5613868
Log P
0.5613868
Molar Refractivity
34.4947
Polarizability
13.362658
Polar Surface Area
44.02
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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