Molecule

ID:76642

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄N₂O₂
Molecular Mass
290.31596
Exact Mass
290.1055277
Charge
0
InChI
InChI=1S/C18H14N2O2/c21-17-14-7-3-4-8-15(14)18(22)20(17)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8H,9-11H2
InChIKey
VORHKXJENRYGEN-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CC2=NCCc3c2cccc3)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CC1=NCCc2c1cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0161488
LogD (pH = 7.4)
2.4170594
Log P
2.4255476
Molar Refractivity
84.3766
Polarizability
30.99399
Polar Surface Area
49.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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