Molecule

ID:75951

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
InChIKey
OFMIMSPBHXZKRI-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)cco2
Isomeric Smiles
o1c2c(cc(cc2)CN)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7148286
LogD (pH = 7.4)
-0.6720724
Log P
1.2581377
Molar Refractivity
43.3725
Polarizability
18.122597
Polar Surface Area
39.16
Rotatable Bonds
1
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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