Molecule

ID:29187

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKey
YQJANHCNGMBHIB-UHFFFAOYSA-N
Canonic Smiles
COCCNCCCc1ccccc1
Isomeric Smiles
N(CCOC)CCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9721099
LogD (pH = 7.4)
0.019542368
Log P
2.217849
Molar Refractivity
59.7055
Polarizability
23.54684
Polar Surface Area
21.26
Rotatable Bonds
7
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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