Molecule

ID:21565

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇N₃O
Molecular Mass
303.35778
Exact Mass
303.13716218
Charge
0
InChI
InChI=1S/C19H17N3O/c20-18-9-5-4-8-17(18)19(23)22-16-12-10-15(11-13-16)21-14-6-2-1-3-7-14/h1-13,21H,20H2,(H,22,23)
InChIKey
OFQVXAGDEDPCHR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)Nc1ccc(cc1)Nc1ccccc1
Isomeric Smiles
C(=O)(c1c(N)cccc1)Nc1ccc(Nc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
12.660733
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
4.3258314
LogD (pH = 7.4)
4.326124
Log P
4.3261304
Molar Refractivity
94.7781
Polarizability
34.829845
Polar Surface Area
67.15
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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