Molecule

ID:44292

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄N₂O₃
Molecular Mass
306.31536
Exact Mass
306.10044232
Charge
0
InChI
InChI=1S/C18H14N2O3/c19-12-13-6-8-14(9-7-13)23-11-3-10-20-17(21)15-4-1-2-5-16(15)18(20)22/h1-2,4-9H,3,10-11H2
InChIKey
JVSQQQCDNYRHHK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)OCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCCOc1ccc(C#N)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4772046
LogD (pH = 7.4)
2.4772046
Log P
2.4772046
Molar Refractivity
85.3507
Polarizability
31.762398
Polar Surface Area
70.4
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
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Molecule Details
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References
Bioactivity
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