Molecule

ID:17260

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
InChIKey
ZHQQRHUITAFMTC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)Cn1cccn1
Isomeric Smiles
n1(nccc1)Cc1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
4.1266418
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.39159358
LogD (pH = 7.4)
-1.3009249
Log P
1.7831619
Molar Refractivity
66.8302
Polarizability
20.823456
Polar Surface Area
55.12
Rotatable Bonds
3
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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