Molecule

ID:101089

General Information
Structure
MolImage
Molecular Formula
C₉H₅NO
Molecular Mass
143.1421
Exact Mass
143.03711379
Charge
0
InChI
InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKey
SXFQAFFSEZRQCJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)cco2
Isomeric Smiles
N#Cc1cc2c(occ2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9884654
LogD (pH = 7.4)
1.9884654
Log P
1.9884654
Molar Refractivity
40.6207
Polarizability
16.557093
Polar Surface Area
36.93
Rotatable Bonds
0
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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