Molecule

ID:46081

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-9(2)13-5-4-11(6-10(13)3)15-12-7-14-8-12/h4-6,9,12,14H,7-8H2,1-3H3
InChIKey
LHZAUYULHBSIQU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1C)OC1CNC1)C
Isomeric Smiles
c1(c(cc(OC2CNC2)cc1)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.23748747
LogD (pH = 7.4)
1.8818969
Log P
3.097844
Molar Refractivity
62.1788
Polarizability
24.555395
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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