Molecule

ID:23562

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-9(2)14(20)16-11-5-3-4-10(8-11)15-12(17)6-7-13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey
DHRKXHIGLCVDGD-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)NC(=O)C(C)C)CCC(=O)O
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CCC(=O)O)ccc1)C(C)C
Calculated Properties
JChem
Acid pKa
4.042618
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.04844094
LogD (pH = 7.4)
-1.6170663
Log P
1.5170515
Molar Refractivity
75.8787
Polarizability
28.01764
Polar Surface Area
95.5
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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