Molecule

ID:35763

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅N₃O₂
Molecular Mass
305.3306
Exact Mass
305.11642674
Charge
0
InChI
InChI=1S/C18H15N3O2/c1-12-5-7-13(8-6-12)16-9-10-17(21-20-16)19-15-4-2-3-14(11-15)18(22)23/h2-11H,1H3,(H,19,21)(H,22,23)
InChIKey
ILPKJCCKFNAVJR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccc(nn1)Nc1cccc(c1)C(=O)O
Isomeric Smiles
n1nc(Nc2cc(C(=O)O)ccc2)ccc1c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
4.7468977
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.1869333
LogD (pH = 7.4)
1.410664
Log P
4.0142665
Molar Refractivity
89.6257
Polarizability
34.317028
Polar Surface Area
75.11
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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