Molecule

ID:20113

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-3-4-10(2)9-14-12-7-5-11(13)6-8-12/h5-8,10H,3-4,9,13H2,1-2H3
InChIKey
FGSDHKXYJLPGEH-UHFFFAOYSA-N
Canonic Smiles
CCCC(COc1ccc(cc1)N)C
Isomeric Smiles
O(c1ccc(N)cc1)CC(CCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.969965
LogD (pH = 7.4)
3.117832
Log P
3.120089
Molar Refractivity
60.1678
Polarizability
23.20991
Polar Surface Area
35.25
Rotatable Bonds
5
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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