Molecule

ID:30243

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂O₄
Molecular Mass
254.28232
Exact Mass
254.12665707
Charge
0
InChI
InChI=1S/C12H18N2O4/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,13,18)(H,15,16)
InChIKey
RFUJQJHOZWCXIN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1NC(=O)N(C1=O)C1CCCCC1
Isomeric Smiles
N1(C(=O)NC(C1=O)CCC(=O)O)C1CCCCC1
Calculated Properties
JChem
Acid pKa
4.220052
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.51464427
LogD (pH = 7.4)
-2.4421303
Log P
0.7883397
Molar Refractivity
62.2413
Polarizability
24.429188
Polar Surface Area
86.71
Rotatable Bonds
4
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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