Molecule

ID:27302

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O
Molecular Mass
305.37366
Exact Mass
305.15281224
Charge
0
InChI
InChI=1S/C19H19N3O/c1-3-13-5-7-14(8-6-13)18-11-16(19(23)22-20)15-10-12(2)4-9-17(15)21-18/h4-11H,3,20H2,1-2H3,(H,22,23)
InChIKey
JUERZKUNGIXAHA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)CC
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)CC)ccc(c2)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.85386
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1885467
LogD (pH = 7.4)
4.1895394
Log P
4.1895523
Molar Refractivity
92.9894
Polarizability
37.636543
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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