Molecule

ID:27231

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O
Molecular Mass
305.37366
Exact Mass
305.15281224
Charge
0
InChI
InChI=1S/C19H19N3O/c1-12(2)13-7-9-14(10-8-13)18-11-16(19(23)22-20)15-5-3-4-6-17(15)21-18/h3-12H,20H2,1-2H3,(H,22,23)
InChIKey
UIRWEEFVOLGPPJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C(C)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)C(C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.738649
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9622114
LogD (pH = 7.4)
3.963138
Log P
3.96315
Molar Refractivity
92.4968
Polarizability
37.71982
Polar Surface Area
68.01
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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