Molecule

ID:7838

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
InChIKey
CKQHAYFOPRIUOM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(C)c1cccc(c1)N
Calculated Properties
JChem
Acid pKa
16.144102
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6986392
LogD (pH = 7.4)
0.70192534
Log P
0.70196736
Molar Refractivity
41.1612
Polarizability
15.202336
Polar Surface Area
43.09
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
References
Bioactivity
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