Molecule

ID:92841

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c12-13-11(15)8-5-1-3-7-4-2-6-9(14)10(7)8/h1-6,14H,12H2,(H,13,15)
InChIKey
NHCZKQJJECXESD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc2c1c(O)ccc2
Isomeric Smiles
N(C(=O)c1cccc2c1c(ccc2)O)N
Calculated Properties
JChem
Acid pKa
9.125758
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.2124281
LogD (pH = 7.4)
1.2052758
Log P
1.2133218
Molar Refractivity
58.0516
Polarizability
22.701315
Polar Surface Area
75.35
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
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References
Bioactivity
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