Molecule

ID:11075

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-8-6-7-9(2)13-12(8)10-4-3-5-11(10)14(16-13)15(17)18/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
InChIKey
UFDYDBRQKBXJOW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Nc2c(C)ccc(c2C2C1CC=C2)C
Isomeric Smiles
N1c2c(C3C(C1C(=O)O)CC=C3)c(ccc2C)C
Calculated Properties
JChem
Acid pKa
4.7926545
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8173647
LogD (pH = 7.4)
0.11612777
Log P
2.5536778
Molar Refractivity
73.0103
Polarizability
26.694378
Polar Surface Area
49.33
Rotatable Bonds
1
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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