Molecule

ID:14445

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c11-7-8-3-4-9(12-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2
InChIKey
TZLGFEAULCWLDT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3491272
LogD (pH = 7.4)
1.3491272
Log P
1.3491272
Molar Refractivity
46.2558
Polarizability
16.89079
Polar Surface Area
33.45
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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