Molecule

ID:107117

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)
InChIKey
AQYMRQUYPFCXDM-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)c1cc2ccccc2cc1O
Isomeric Smiles
COc1ccccc1NC(=O)c1cc2c(cccc2)cc1O
Calculated Properties
Provided by Enamine
CLogP
3.93
H Donor
2
Polar Surface Area
58.56
Rotatable Bonds
3
JChem
Log P
3.59
LogD (pH = 7.4)
3.42
LogD (pH = 5.5)
3.59
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Polar Surface Area
58.56
Molar Refractivity
86
Polarizability
30.25
Acid pKa
7.70
Lipinski's Rule of Five
true
LOG S
-4.99
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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