Molecule

ID:11380

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₃
Molecular Mass
295.33248
Exact Mass
295.12084341
Charge
0
InChI
InChI=1S/C18H17NO3/c1-12-6-8-13(9-7-12)17(20)19-11-15-5-3-2-4-14(15)10-16(19)18(21)22/h2-9,16H,10-11H2,1H3,(H,21,22)
InChIKey
KCVCTQYFLDSAOL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(cc1)C
Isomeric Smiles
N1(C(=O)c2ccc(cc2)C)C(Cc2c(C1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8149397
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5511849
LogD (pH = 7.4)
-0.016501106
Log P
3.2389607
Molar Refractivity
83.7231
Polarizability
31.661226
Polar Surface Area
57.61
Rotatable Bonds
2
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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