Molecule
ID:17426
General Information
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-3-15(2)13-10(8-12(17-15)14(18)19)9-6-4-5-7-11(9)16-13/h4-7,12,16-17H,3,8H2,1-2H3,(H,18,19)
InChIKey
JVKIDYZBWCSUIJ-UHFFFAOYSA-N
Canonic Smiles
CCC1(C)NC(Cc2c1[nH]c1c2cccc1)C(=O)O
Isomeric Smiles
c12c(c3c([nH]1)cccc3)CC(NC2(CC)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.1213226
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.030142264
LogD (pH = 7.4)
0.025699193
Log P
0.030118061
Molar Refractivity
72.9905
Polarizability
29.732283
Polar Surface Area
65.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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