Molecule

ID:117037

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-8-3-5-9(6-4-8)10-7-11-2/h3-7H,1-2H3/b10-7+
InChIKey
JVFZTLGIXAFEDP-JXMROGBWSA-N
Canonic Smiles
CO/C=N/c1ccc(cc1)C
Isomeric Smiles
N(=C\OC)/c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5159318
LogD (pH = 7.4)
2.5159626
Log P
2.5159628
Molar Refractivity
46.978
Polarizability
17.175419
Polar Surface Area
21.59
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
No Data Available
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Molecule Details
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References
Bioactivity
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