Molecule

ID:19882

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3,10H2,1-2H3
InChIKey
QINJFUHLZDSQIC-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C)ccc1N
Isomeric Smiles
c1(c(ccc(c1)C)N)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7745254
LogD (pH = 7.4)
1.8557365
Log P
1.8568779
Molar Refractivity
47.0114
Polarizability
17.596317
Polar Surface Area
35.25
Rotatable Bonds
2
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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