Molecule

ID:102704

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)/t11-,12-/m0/s1
InChIKey
OIDKVWTWGDWMHY-RYUDHWBXSA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1
Isomeric Smiles
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1
Calculated Properties
JChem
Acid pKa
3.492311
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.7559029
LogD (pH = 7.4)
-1.7572974
Log P
-1.7536331
Molar Refractivity
71.9616
Polarizability
28.22573
Polar Surface Area
98.66
Rotatable Bonds
5
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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