Molecule

ID:92048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
InChIKey
NQUPXNZWBGZRQX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nccc2O
Isomeric Smiles
n1ccc(c2ccc(cc12)OC)O
Calculated Properties
JChem
Acid pKa
10.700278
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6684772
LogD (pH = 7.4)
1.6694345
Log P
1.6696639
Molar Refractivity
48.4234
Polarizability
20.071184
Polar Surface Area
42.35
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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