Molecule

ID:16704

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,10H2,1-2H3
InChIKey
VENQOHAPVLVQKV-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(N)C
Isomeric Smiles
c1(c(cccc1)C(C)N)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5898026
LogD (pH = 7.4)
-0.4201213
Log P
1.357918
Molar Refractivity
45.4134
Polarizability
18.066557
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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