Molecule

ID:18108

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-17-13-4-6-14(7-5-13)18-10-9-15-8-2-3-12(15)11-16/h2-8,11H,9-10H2,1H3
InChIKey
QFVKALHFMKIHDU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCn1cccc1C=O
Isomeric Smiles
n1(c(ccc1)C=O)CCOc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3956878
LogD (pH = 7.4)
2.3956878
Log P
2.3956878
Molar Refractivity
69.1904
Polarizability
26.325256
Polar Surface Area
40.46
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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