Molecule
ID:71387
General Information
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c9-11-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
WATGQJJIGNUEFU-UHFFFAOYSA-N
Canonic Smiles
NOCOCc1ccccc1
Isomeric Smiles
C(ON)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4075481
LogD (pH = 7.4)
1.424838
Log P
1.4250629
Molar Refractivity
42.7966
Polarizability
16.914785
Polar Surface Area
44.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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