Molecule

ID:105133

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/h4-6,8,12,16-17,21,23H,7H2,1-3H3
InChIKey
CNZIQHGDUXRUJS-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\1/C(=O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C)/O
Isomeric Smiles
C/C(=C\1/C(=O)C2C3C(Cc4c5c([nH]cc35)ccc4)C(C)(C)N2C1=O)/O
Calculated Properties
JChem
Acid pKa
3.951955
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.57336426
LogD (pH = 7.4)
-1.044669
Log P
2.1560252
Molar Refractivity
94.8761
Polarizability
37.095264
Polar Surface Area
73.4
Rotatable Bonds
0
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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