Molecule

ID:52186

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey
LSBDFXRDZJMBSC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1ccccc1
Isomeric Smiles
C(=O)(Cc1ccccc1)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.80
LogD (pH = 5.5)
0.80
Log P
0.80
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.50
Polar Surface Area
43.09
Polarizability
14.17
Molar Refractivity
39.19
LOG S
-1.13
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
References
Bioactivity
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