Molecule

ID:69926

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,7H2,1H3
InChIKey
PLUADOZOKWWDIF-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccccc1C
Isomeric Smiles
C(#N)COc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8649281
LogD (pH = 7.4)
1.8649281
Log P
1.8649281
Molar Refractivity
42.6263
Polarizability
16.292297
Polar Surface Area
33.02
Rotatable Bonds
2
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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