Molecule

ID:24322

General Information
Structure
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-2-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9+
InChIKey
MDLJMYBJBOYUNJ-MDZDMXLPSA-N
Canonic Smiles
CC/C(=N\O)/c1ccccc1
Isomeric Smiles
N(=C(\c1ccccc1)/CC)/O
Calculated Properties
JChem
Acid pKa
8.94485
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.23978
LogD (pH = 7.4)
2.228736
Log P
2.2409089
Molar Refractivity
44.9094
Polarizability
17.263197
Polar Surface Area
32.59
Rotatable Bonds
2
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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