Molecule

ID:46014

General Information
Structure
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-13(2,3)11-6-4-5-7-12(11)15-10-8-14-9-10/h4-7,10,14H,8-9H2,1-3H3
InChIKey
UNMWTGOSPDTLNQ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OC1CNC1)(C)C
Isomeric Smiles
c1(c(C(C)(C)C)cccc1)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.028907489
LogD (pH = 7.4)
1.6761278
Log P
2.8844695
Molar Refractivity
61.6127
Polarizability
24.63574
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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