Molecule

ID:67686

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKey
GTDQGKWDWVUKTI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(C)c1c(cccc1)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.35
LogD (pH = 5.5)
1.35
Log P
1.35
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.56
Polar Surface Area
43.09
Polarizability
14.38
Molar Refractivity
41.16
LOG S
-1.56
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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