Molecule

ID:65347

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₄N₄O₄
Molecular Mass
466.57256
Exact Mass
466.25800559
Charge
0
InChI
InChI=1S/2C12H16N2.C2H2O4/c2*1-2-4-11(5-3-1)8-14-7-6-12(14)9-13-10-12;3-1(4)2(5)6/h2*1-5,13H,6-10H2;(H,3,4)(H,5,6)
InChIKey
HVUDRUUOMXDHMA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC21CNC2.c1ccc(cc1)CN1CCC21CNC2.OC(=O)C(=O)O
Isomeric Smiles
N1(C2(CC1)CNC2)Cc1ccccc1.N1(C2(CC1)CNC2)Cc1ccccc1.C(=O)(C(=O)O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9256299
LogD (pH = 7.4)
-0.7810591
Log P
1.2506849
Molar Refractivity
57.8123
Polarizability
23.010496
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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