Molecule

ID:34358

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2,7,10H2,1H3
InChIKey
ORFDOJUUDDVASP-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)CN
Isomeric Smiles
c1cc(cc(c1)OCC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6824664
LogD (pH = 7.4)
-0.68916446
Log P
1.2981509
Molar Refractivity
45.7432
Polarizability
18.06661
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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