Molecule

ID:122794

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂
Molecular Mass
179.21572
Exact Mass
179.09462866
Charge
0
InChI
InChI=1S/C10H13NO2/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1,3,5,8,10H,2,4,6-7H2
InChIKey
SXUBDVNYZHNQCW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1CC1CCCO1
Isomeric Smiles
n1(c(ccc1)C=O)CC1OCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3278985
LogD (pH = 7.4)
1.3278985
Log P
1.3278985
Molar Refractivity
50.4297
Polarizability
19.030504
Polar Surface Area
31.23
Rotatable Bonds
3
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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