Molecule

ID:18496

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-17-13-5-2-6-14(10-13)18-9-8-15-7-3-4-12(15)11-16/h2-7,10-11H,8-9H2,1H3
InChIKey
UEHJCAASKQBTHV-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OCCn1cccc1C=O
Isomeric Smiles
n1(c(ccc1)C=O)CCOc1cc(OC)ccc1
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
26.326181
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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