Molecule

ID:20896

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-2-11-5-7-12(8-6-11)15-13-4-3-9-14-10-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKey
ZGTUBYNKHIHLET-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC1CCCNC1
Isomeric Smiles
N1CC(Oc2ccc(cc2)CC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29523417
LogD (pH = 7.4)
0.815156
Log P
2.8747258
Molar Refractivity
62.099
Polarizability
24.635887
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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