Molecule

ID:113855

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,16)
InChIKey
BNYPOQLJBPNQOW-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=O)N(C(=O)N1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)NC(=O)CC1=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8831587
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.93403393
LogD (pH = 7.4)
-2.3031669
Log P
0.6771061
Molar Refractivity
55.4841
Polarizability
21.346405
Polar Surface Area
66.48
Rotatable Bonds
2
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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