Molecule

ID:30512

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5H,2-3,10H2,1H3
InChIKey
ARAHLXHMPGGAEQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2OCCOc2cc1N
Isomeric Smiles
c1c2c(cc(c1N)C)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1387849
LogD (pH = 7.4)
1.1704545
Log P
1.1708738
Molar Refractivity
46.757
Polarizability
17.542997
Polar Surface Area
44.48
Rotatable Bonds
0
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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