Molecule

ID:36355

General Information
Structure
Molecular Formula
C₁₇H₂₄N₂O₃
Molecular Mass
304.38406
Exact Mass
304.17869264
Charge
0
InChI
InChI=1S/C17H24N2O3/c20-16(18-14-8-4-1-2-5-9-14)12-19(13-17(21)22)15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,18,20)(H,21,22)
InChIKey
PAHVJWKAAROYGM-UHFFFAOYSA-N
Canonic Smiles
O=C(CN(c1ccccc1)CC(=O)O)NC1CCCCCC1
Isomeric Smiles
N(CC(=O)NC1CCCCCC1)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.300351
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4736143
LogD (pH = 7.4)
-0.2649089
Log P
2.697829
Molar Refractivity
84.9899
Polarizability
32.723907
Polar Surface Area
69.64
Rotatable Bonds
6
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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