Molecule

ID:117870

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6,10H2
InChIKey
VRRJGXBLWHBYTG-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1cccc(c1)N
Isomeric Smiles
C(#C)COc1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2044728
LogD (pH = 7.4)
1.2146009
Log P
1.2147317
Molar Refractivity
44.8018
Polarizability
16.572495
Polar Surface Area
35.25
Rotatable Bonds
2
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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