Molecule

ID:62001

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-20-14(19)7-12(17)11-6-13(18)16(9-11)8-10-2-4-15-5-3-10/h2-5,11H,6-9H2,1H3
InChIKey
QVNOZHCRJWHKEC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CN(C(=O)C1)Cc1ccncc1
Isomeric Smiles
N1(C(=O)CC(C(=O)CC(=O)OC)C1)Cc1ccncc1
Calculated Properties
JChem
Acid pKa
11.33497
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.020996341
LogD (pH = 7.4)
0.12893078
Log P
-0.10273255
Molar Refractivity
70.3605
Polarizability
27.38286
Polar Surface Area
76.57
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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