Molecule

ID:126814

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O₃
Molecular Mass
336.3844
Exact Mass
336.14739251
Charge
0
InChI
InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1
InChIKey
SZINUGQCTHLQAZ-DQYPLSBCSA-N
Canonic Smiles
CC(=O)C1=C(O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C
Isomeric Smiles
CC(=O)C1=C(O)[C@H]2N(C1=O)C(C)(C)[C@@H]1Cc3cccc4[nH]cc(c34)[C@H]21
Calculated Properties
JChem
Acid pKa
-0.45829082
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1651261
LogD (pH = 7.4)
-1.7397176
Log P
1.7741741
Molar Refractivity
94.6425
Polarizability
37.09527
Polar Surface Area
73.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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