Molecule

ID:30381

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N₅O
Molecular Mass
293.3232
Exact Mass
293.12766013
Charge
0
InChI
InChI=1S/C16H15N5O/c1-11-2-4-12(5-3-11)15(22)10-21-19-16(18-20-21)13-6-8-14(17)9-7-13/h2-9H,10,17H2,1H3
InChIKey
FSMHZJRBZOYZTJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)Cn1nnc(n1)c1ccc(cc1)N
Isomeric Smiles
n1(nc(nn1)c1ccc(N)cc1)CC(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
14.332463
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.0624886
LogD (pH = 7.4)
3.0629268
Log P
3.0629325
Molar Refractivity
108.2795
Polarizability
31.884987
Polar Surface Area
86.69
Rotatable Bonds
4
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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