Molecule

ID:12858

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₄
Molecular Mass
308.37276
Exact Mass
308.17360726
Charge
0
InChI
InChI=1S/C14H22N2.C2H2O4/c1-3-8-16-9-4-5-13-10-12(11-15-2)6-7-14(13)16;3-1(4)2(5)6/h6-7,10,15H,3-5,8-9,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
PRGYLHUCLMMQHZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.CCCN1CCCc2c1ccc(c2)CNC
Isomeric Smiles
O=C(O)C(=O)O.N(Cc1cc2CCCN(c2cc1)CCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34288862
LogD (pH = 7.4)
0.6324308
Log P
3.003426
Molar Refractivity
70.9178
Polarizability
26.958645
Polar Surface Area
15.27
Rotatable Bonds
5
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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