Molecule

ID:75880

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11)
InChIKey
GYPOFOQUZZUVQL-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc2c(c1)cccc2
Isomeric Smiles
n1cc2c(cccc2)cc1O
Calculated Properties
JChem
Acid pKa
11.680298
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0355256
LogD (pH = 7.4)
2.0359147
Log P
2.0359423
Molar Refractivity
42.6457
Polarizability
17.590559
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation