Molecule

ID:9919

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h7-10H,2-6,14H2,1H3
InChIKey
ZGCZLEYNQKVVMJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C1CCCCC1
Isomeric Smiles
c1c(ccc(c1N)OC)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0538375
LogD (pH = 7.4)
3.1010017
Log P
3.1016378
Molar Refractivity
63.4132
Polarizability
24.239252
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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