Molecule

ID:30679

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₃
Molecular Mass
304.38406
Exact Mass
304.17869264
Charge
0
InChI
InChI=1S/C17H24N2O3/c1-2-14-5-3-4-12-19(14)15-8-6-13(7-9-15)18-16(20)10-11-17(21)22/h6-9,14H,2-5,10-12H2,1H3,(H,18,20)(H,21,22)
InChIKey
DMVITXLWUZPSOL-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ccc(cc1)NC(=O)CCC(=O)O
Isomeric Smiles
N1(c2ccc(NC(=O)CCC(=O)O)cc2)C(CC)CCCC1
Calculated Properties
JChem
Acid pKa
4.126667
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3751483
LogD (pH = 7.4)
-0.11247637
Log P
1.5594296
Molar Refractivity
87.3277
Polarizability
32.71034
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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