Molecule

ID:58659

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
InChIKey
DJQOGNYSBOIJKE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)n(C)cc2
Isomeric Smiles
c1c(cc2c(c1)ccn2C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9020712
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.079457976
LogD (pH = 7.4)
-1.3818483
Log P
1.9532667
Molar Refractivity
49.2974
Polarizability
19.62083
Polar Surface Area
42.23
Rotatable Bonds
1
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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