Molecule

ID:67282

General Information
Structure
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey
YWPMKTWUFVOFPL-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCc2c1cccc2
Isomeric Smiles
C1(=O)NCCc2ccccc12
Calculated Properties
JChem
Acid pKa
14.765182
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0874505
LogD (pH = 7.4)
1.0874506
Log P
1.0874506
Molar Refractivity
43.3427
Polarizability
16.108347
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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