Molecule

ID:10302

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO
Molecular Mass
157.16868
Exact Mass
157.05276385
Charge
0
InChI
InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKey
BJAJKVZABJZXDC-UHFFFAOYSA-N
Canonic Smiles
N#CCc1coc2c1cccc2
Isomeric Smiles
c1ccc2occ(c2c1)CC#N
Calculated Properties
JChem
Acid pKa
11.334415
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8280658
LogD (pH = 7.4)
1.8280159
Log P
1.8280663
Molar Refractivity
45.186
Polarizability
18.246296
Polar Surface Area
36.93
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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