Molecule

ID:61687

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O
Molecular Mass
234.2527
Exact Mass
234.07931295
Charge
0
InChI
InChI=1S/C15H10N2O/c1-18-15(12(9-16)10-17)14-8-4-6-11-5-2-3-7-13(11)14/h2-8H,1H3
InChIKey
XQWRQOZYYLGZMS-UHFFFAOYSA-N
Canonic Smiles
COC(=C(C#N)C#N)c1cccc2c1cccc2
Isomeric Smiles
C(=C(c1c2c(ccc1)cccc2)OC)(C#N)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5213177
LogD (pH = 7.4)
2.5213177
Log P
2.5213177
Molar Refractivity
70.1865
Polarizability
27.273048
Polar Surface Area
56.81
Rotatable Bonds
2
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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