Molecule

ID:14342

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c1-8-6-9(2)14-11(7-8)13(15(17)18)10-4-3-5-12(10)16-14/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKey
ROEMBHZFNMLLSU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(C(=O)O)c1c(n2)CCC1
Isomeric Smiles
c1(c2c(nc3c1CCC3)c(cc(c2)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8529992
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8071781
LogD (pH = 7.4)
0.35738042
Log P
3.2776296
Molar Refractivity
69.7753
Polarizability
27.445055
Polar Surface Area
50.19
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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