Molecule

ID:120588

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅N₃O₂
Molecular Mass
293.3199
Exact Mass
293.11642674
Charge
0
InChI
InChI=1S/C17H15N3O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)20-17(19-14)18-10-15(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKey
HZDXKIPWPBDGTG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNc1nc2ccc(cc2c(n1)c1ccccc1)C
Isomeric Smiles
c12c(nc(nc1ccc(c2)C)NCC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.3551726
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.129542
LogD (pH = 7.4)
0.4742961
Log P
3.0602515
Molar Refractivity
84.8303
Polarizability
34.12579
Polar Surface Area
75.11
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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