Molecule

ID:36321

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O₃
Molecular Mass
298.33642
Exact Mass
298.13174245
Charge
0
InChI
InChI=1S/C17H18N2O3/c20-16(18-11-14-7-3-1-4-8-14)12-19(13-17(21)22)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,21,22)
InChIKey
ARRRXWQARWGHKM-UHFFFAOYSA-N
Canonic Smiles
O=C(CN(c1ccccc1)CC(=O)O)NCc1ccccc1
Isomeric Smiles
N(CC(=O)NCc1ccccc1)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.224545
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.88297886
LogD (pH = 7.4)
-0.8381435
Log P
2.1784627
Molar Refractivity
83.9873
Polarizability
31.988205
Polar Surface Area
69.64
Rotatable Bonds
7
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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