Molecule

ID:74006

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4H2
InChIKey
QHTVULDSSWHXKV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)CCO2
Isomeric Smiles
O1c2c(cc(cc2)C#N)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7115593
LogD (pH = 7.4)
1.7115593
Log P
1.7115593
Molar Refractivity
41.5524
Polarizability
15.706596
Polar Surface Area
33.02
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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