Molecule

ID:23573

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-2-9-15-14(20)10-3-5-11(6-4-10)16-12(17)7-8-13(18)19/h3-6H,2,7-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKey
ZNDZPTPLOKEAGO-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)c1ccc(cc1)NC(=O)CCC(=O)O
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CCC(=O)O)cc1)NCCC
Calculated Properties
JChem
Acid pKa
3.8728273
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.64245766
LogD (pH = 7.4)
-2.237966
Log P
0.98946565
Molar Refractivity
75.062
Polarizability
27.819942
Polar Surface Area
95.5
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
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References
Bioactivity
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