Molecule

ID:20835

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)10-15-13-7-4-8-14-9-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKey
NVDNJKGJBMROPH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COC1CCCNC1
Isomeric Smiles
N1CC(OCc2c(C)cccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.72676045
LogD (pH = 7.4)
0.26203233
Log P
2.4636052
Molar Refractivity
62.6019
Polarizability
24.648623
Polar Surface Area
21.26
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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