Molecule

ID:16158

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-2-5-12-14-10(8-13(16-12)15(18)19)9-6-3-4-7-11(9)17-14/h3-4,6-7,12-13,16-17H,2,5,8H2,1H3,(H,18,19)
InChIKey
MCRTVLJNXKXHBA-UHFFFAOYSA-N
Canonic Smiles
CCCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
Isomeric Smiles
c12c([nH]c3c1cccc3)C(NC(C2)C(=O)O)CCC
Calculated Properties
JChem
Acid pKa
2.1301343
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.19450492
LogD (pH = 7.4)
0.18921849
Log P
0.19445919
Molar Refractivity
72.9533
Polarizability
29.732592
Polar Surface Area
65.12
Rotatable Bonds
3
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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