Molecule

ID:75664

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c8-4-1-7-2-5-9-6-3-7/h1H,2-3,5-6H2
InChIKey
XITDIIYCZBJKTM-UHFFFAOYSA-N
Canonic Smiles
N#CC=C1CCOCC1
Isomeric Smiles
O1CCC(=CC#N)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.56504273
LogD (pH = 7.4)
0.56504273
Log P
0.56504273
Molar Refractivity
35.7755
Polarizability
13.189182
Polar Surface Area
33.02
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
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References
Bioactivity
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