Molecule

ID:44484

General Information
Structure
Molecular Formula
C₁₅H₁₉NO
Molecular Mass
229.31746
Exact Mass
229.14666423
Charge
0
InChI
InChI=1S/C15H19NO/c17-15-8-4-7-13-10-16(11-14(13)15)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChIKey
CEOKBKQHDGSNSQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC2C1CN(C2)Cc1ccccc1
Isomeric Smiles
N1(CC2C(C1)CCCC2=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.845837
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.6762163
LogD (pH = 7.4)
0.7852657
Log P
2.6305003
Molar Refractivity
69.075
Polarizability
27.058523
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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