Molecule

ID:19469

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10-9-12(3-4-13(10)15-2)11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3
InChIKey
LFSVHCZJBFRGKH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)C1CCNCC1
Isomeric Smiles
c1(cc(c(cc1)OC)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7888963
LogD (pH = 7.4)
-0.1492459
Log P
2.4340608
Molar Refractivity
62.9834
Polarizability
24.556236
Polar Surface Area
21.26
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
No Data Available
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Molecule Details
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References
Bioactivity
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