Molecule

ID:48502

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-2-17(11-12-7-4-3-5-8-12)14-13(15(18)19)9-6-10-16-14/h3-10H,2,11H2,1H3,(H,18,19)
InChIKey
SZFVCKGECADROZ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncccc1C(=O)O)Cc1ccccc1
Isomeric Smiles
c1(c(C(=O)O)cccn1)N(Cc1ccccc1)CC
Calculated Properties
JChem
Polar Surface Area
53.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Acid pKa
2.4280744
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5309547
LogD (pH = 7.4)
0.6687362
Log P
1.5735536
Molar Refractivity
75.2606
Polarizability
28.010035
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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