Molecule

ID:76178

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-18-14(17)7-6-12-2-4-13(5-3-12)10-16-9-8-15-11-16/h2-9,11H,10H2,1H3
InChIKey
FTLRFDGBBQSQMJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(cc1)Cn1cncc1
Isomeric Smiles
O(C(=O)/C=C/c1ccc(cc1)Cn1ccnc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8168294
LogD (pH = 7.4)
2.2814283
Log P
2.3449929
Molar Refractivity
70.2931
Polarizability
26.454725
Polar Surface Area
44.12
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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