Molecule

ID:21080

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKey
OIJKMXCBZFMSIS-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OC1CNCC1)C
Isomeric Smiles
N1CCC(Oc2ccc(cc2)C(C)C)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5863588
LogD (pH = 7.4)
-0.107991815
Log P
2.6443822
Molar Refractivity
62.003
Polarizability
24.635036
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
No Data Available
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Molecule Details
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References
Bioactivity
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