Molecule

ID:31461

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6H,2,7,10H2,1H3
InChIKey
AXXYMKMFXNCXGM-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1N
Isomeric Smiles
c1(c(OCCC)cccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8285884
LogD (pH = 7.4)
1.8654875
Log P
1.865979
Molar Refractivity
46.4942
Polarizability
17.675875
Polar Surface Area
35.25
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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