Molecule

ID:112613

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2
InChIKey
PYVHLZLQVWXBDZ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O
Isomeric Smiles
O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.47048107
LogD (pH = 7.4)
0.47048107
Log P
0.47048107
Molar Refractivity
73.2392
Polarizability
27.212555
Polar Surface Area
74.76
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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