Molecule

ID:76353

General Information
Structure
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)19-10-4-7-17(12-19,14(20)21)11-13-5-8-18-9-6-13/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,20,21)
InChIKey
JIPBPJZISZCBJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)(Cc1ccncc1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(C(=O)O)(Cc2ccncc2)CCC1
Calculated Properties
JChem
Acid pKa
4.108582
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9273503
LogD (pH = 7.4)
-0.70616853
Log P
1.2136257
Molar Refractivity
84.9565
Polarizability
33.245705
Polar Surface Area
79.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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