Molecule

ID:11535

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-11-14(8-9-15(18)19)12(2)17(16-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,19)
InChIKey
QERVLMFEJQUIMV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1c(C)nn(c1C)Cc1ccccc1
Isomeric Smiles
n1(nc(c(c1C)CCC(=O)O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.3213596
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2632387
LogD (pH = 7.4)
-0.45996538
Log P
2.2612882
Molar Refractivity
85.2238
Polarizability
28.046824
Polar Surface Area
55.12
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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