Molecule

ID:79953

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5,10H2
InChIKey
FVLCICVRAPEYNX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)OCCCO2
Isomeric Smiles
O1c2c(ccc(c2)N)OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6646898
LogD (pH = 7.4)
0.71670645
Log P
0.7174121
Molar Refractivity
46.5812
Polarizability
17.619375
Polar Surface Area
44.48
Rotatable Bonds
0
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
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References
Bioactivity
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