Molecule

ID:73418

General Information
Structure
MolImage
Molecular Formula
C₉H₆O
Molecular Mass
130.14334
Exact Mass
130.04186481
Charge
0
InChI
InChI=1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
InChIKey
ZEDSAJWVTKUHHK-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccccc1C=O
Isomeric Smiles
O=Cc1ccccc1C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8365835
LogD (pH = 7.4)
1.8365835
Log P
1.8365835
Molar Refractivity
37.8143
Polarizability
14.80602
Polar Surface Area
17.07
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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