Molecule

ID:25919

General Information
Structure
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-3-9-14(10-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
HDOZLDYBGNJMMZ-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ccc(cc1)C=O)CCC
Isomeric Smiles
c1(N(CCC)CCC)ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.495045
LogD (pH = 7.4)
3.5516806
Log P
3.5524528
Molar Refractivity
65.6158
Polarizability
24.424463
Polar Surface Area
20.31
Rotatable Bonds
6
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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