Molecule

ID:121027

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O
Molecular Mass
210.2313
Exact Mass
210.07931295
Charge
0
InChI
InChI=1S/C13H10N2O/c14-8-11-7-10-4-1-3-9-5-2-6-15(12(9)10)13(11)16/h1,3-4,7H,2,5-6H2
InChIKey
XQUIDPSHXPJCIB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2cccc3c2n(c1=O)CCC3
Isomeric Smiles
n12c(=O)c(cc3c1c(ccc3)CCC2)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7575243
LogD (pH = 7.4)
1.7575243
Log P
1.7575243
Molar Refractivity
61.3593
Polarizability
22.62287
Polar Surface Area
44.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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