Molecule

ID:20677

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKey
ZWNDUYVBAKNEOH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCC1CCCNC1
Isomeric Smiles
N1CC(COc2c(C)cccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7469756
LogD (pH = 7.4)
-0.08938833
Log P
2.4749117
Molar Refractivity
62.438
Polarizability
24.638508
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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