Molecule

ID:112193

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
UJZXIGKNPLTUOZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](Cc1ccccc1)(C)C
Isomeric Smiles
C[N+](C)([O-])Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.78991276
LogD (pH = 7.4)
0.79026294
Log P
0.7902674
Molar Refractivity
46.6456
Polarizability
17.507498
Polar Surface Area
26.88
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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