Molecule

ID:115927

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₃
Molecular Mass
273.32696
Exact Mass
273.13649347
Charge
0
InChI
InChI=1S/C16H19NO3/c1-11-8-16(18)20-15-9-13(2-3-14(11)15)19-10-12-4-6-17-7-5-12/h2-3,8-9,12,17H,4-7,10H2,1H3
InChIKey
FSCCUOZAEKUUSN-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(C)c2c(o1)cc(cc2)OCC1CCNCC1
Isomeric Smiles
c12oc(=O)cc(c1ccc(c2)OCC1CCNCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.201979
LogD (pH = 7.4)
-0.7412082
Log P
2.0294418
Molar Refractivity
77.2682
Polarizability
30.059767
Polar Surface Area
47.56
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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