Molecule

ID:101188

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c12-7-11-9-3-4-10-8(6-9)2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKey
YNAWMZLOWDUDQF-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc2c(c1)CCCO2
Isomeric Smiles
C(=Nc1cc2c(OCCC2)cc1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2095873
LogD (pH = 7.4)
2.2095873
Log P
2.2095873
Molar Refractivity
49.5038
Polarizability
18.038563
Polar Surface Area
38.66
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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