Molecule

ID:82102

General Information
Structure
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h1-2,5-6H,3-4H2,(H,8,9)
InChIKey
IHROAFZNBVGGFN-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2C1CC=CC2
Isomeric Smiles
N1C(=O)C2C1CC=CC2
Calculated Properties
JChem
Acid pKa
14.448577
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.23273428
LogD (pH = 7.4)
0.23273426
Log P
0.23273431
Molar Refractivity
34.9356
Polarizability
13.135593
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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