Molecule

ID:36340

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₄O₃
Molecular Mass
306.36018
Exact Mass
306.16919058
Charge
0
InChI
InChI=1S/C15H22N4O3/c1-17-7-9-19(10-8-17)16-14(20)11-18(12-15(21)22)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,20)(H,21,22)
InChIKey
CFWANKOKNOFKIB-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)NC(=O)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
C(=O)(NN1CCN(CC1)C)CN(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.020201
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.7077403
LogD (pH = 7.4)
-2.951124
Log P
-2.7101595
Molar Refractivity
83.6215
Polarizability
32.011326
Polar Surface Area
76.12
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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