Molecule

ID:71455

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
InChIKey
HRVQMQWVGKYDCF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(c1)C(=O)C
Isomeric Smiles
c1(cc(ccn1)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.014783
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2080728
LogD (pH = 7.4)
1.2124367
Log P
1.2124926
Molar Refractivity
38.9731
Polarizability
14.9312935
Polar Surface Area
29.96
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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