Molecule
ID:124668
General Information
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c14-10-6-9(11(15)16)12-13(10)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKey
GITPJWYHCMCMOV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=NN(C(=O)C1)Cc1ccccc1
Isomeric Smiles
C1(=NN(C(=O)C1)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1084876
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.80994976
LogD (pH = 7.4)
-1.907397
Log P
1.5528095
Molar Refractivity
56.1224
Polarizability
21.30469
Polar Surface Area
69.97
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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