Molecule

ID:92418

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-5-3-4-8-6(2)7(5)9/h3-4,9H,1-2H3
InChIKey
YOLWXYGTOQALFW-UHFFFAOYSA-N
Canonic Smiles
Oc1c(C)ccnc1C
Isomeric Smiles
n1c(c(c(cc1)C)O)C
Calculated Properties
JChem
Acid pKa
10.030362
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.10688671
LogD (pH = 7.4)
0.9438139
Log P
1.0967996
Molar Refractivity
35.5147
Polarizability
13.561889
Polar Surface Area
33.12
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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