Molecule

ID:16571

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3
InChIKey
HRRUKGPVBSKOJH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)C1CCCCC1)C
Isomeric Smiles
n1(C2CCCCC2)c(c(cc1C)C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1877015
LogD (pH = 7.4)
3.1877015
Log P
3.1877015
Molar Refractivity
63.6111
Polarizability
23.702076
Polar Surface Area
22.0
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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