Molecule

ID:50208

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKey
QUMLOVQFWVLNPX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CC1CCCNC1
Isomeric Smiles
c1(CC2CNCCC2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7831312
LogD (pH = 7.4)
-0.20506136
Log P
2.443162
Molar Refractivity
62.4662
Polarizability
24.637424
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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