Molecule

ID:41365

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)7-10(2)11/h3-7H,1-2H3/b10-7-
InChIKey
QZJWIZSRELSJQP-YFHOEESVSA-N
Canonic Smiles
[O-]/[N+](=C\c1ccc(cc1)C)/C
Isomeric Smiles
[N+](=C\c1ccc(cc1)C)(\[O-])/C
Calculated Properties
JChem
Acid pKa
19.029741
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1187387
LogD (pH = 7.4)
2.1187475
Log P
2.1187475
Molar Refractivity
48.0941
Polarizability
17.048939
Polar Surface Area
28.75
Rotatable Bonds
1
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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