Molecule

ID:28432

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N₃O
Molecular Mass
265.3098
Exact Mass
265.12151212
Charge
0
InChI
InChI=1S/C16H15N3O/c17-10-11-19-15(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11,17H2
InChIKey
OUTJVLKVOHOPPK-UHFFFAOYSA-N
Canonic Smiles
NCCn1c(nc2c(c1=O)cccc2)c1ccccc1
Isomeric Smiles
n1(c(nc2c(c1=O)cccc2)c1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8502572
LogD (pH = 7.4)
0.467728
Log P
2.0543072
Molar Refractivity
80.9069
Polarizability
29.772903
Polar Surface Area
58.69
Rotatable Bonds
3
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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