Molecule

ID:74547

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO
Molecular Mass
133.14728
Exact Mass
133.05276385
Charge
0
InChI
InChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
InChIKey
ORVPXPKEZLTMNW-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1[nH]cc2
Isomeric Smiles
[nH]1c2c(cccc2O)cc1
Calculated Properties
JChem
Acid pKa
9.614228
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.7684093
LogD (pH = 7.4)
1.765815
Log P
1.7684425
Molar Refractivity
39.1254
Polarizability
16.182186
Polar Surface Area
36.02
Rotatable Bonds
0
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
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References
Bioactivity
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