Molecule

ID:132513

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c16-13(15(19)20)7-8-14(18)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8,16H2,(H,17,18)(H,19,20)
InChIKey
XWCSDVVHAXLZNL-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc2c(c1)cccc2)CCC(C(=O)O)N
Isomeric Smiles
c1ccc2cc(ccc2c1)NC(=O)CCC(C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.1685522
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.7703671
LogD (pH = 7.4)
-0.7751359
Log P
-0.770389
Molar Refractivity
76.0152
Polarizability
30.268906
Polar Surface Area
92.42
Rotatable Bonds
5
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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