Molecule

ID:41224

General Information
Structure
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c1-18-14(17)11-6-4-10(5-7-11)13-12(9-15)3-2-8-16-13/h2-8H,1H3
InChIKey
SDYDEUJKFAVIKO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ncccc1C#N
Isomeric Smiles
c1(c(cccn1)C#N)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6482103
LogD (pH = 7.4)
2.648222
Log P
2.6482222
Molar Refractivity
66.4122
Polarizability
26.642204
Polar Surface Area
62.98
Rotatable Bonds
3
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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