Molecule

ID:19067

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13/h2-5H,6-10,14H2,1H3
InChIKey
JSUULOSSQLONME-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCOCC1)c1ccc(cc1)C
Isomeric Smiles
C1(c2ccc(cc2)C)(CN)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1659365
LogD (pH = 7.4)
-0.22349842
Log P
1.8215542
Molar Refractivity
62.7466
Polarizability
24.570812
Polar Surface Area
35.25
Rotatable Bonds
2
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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