Molecule

ID:54614

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O
Molecular Mass
305.37366
Exact Mass
305.15281224
Charge
0
InChI
InChI=1S/C19H19N3O/c20-13-18-12-17(15-23)6-7-19(18)22-10-8-21(9-11-22)14-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2
InChIKey
WQKNBMIUPYNYPW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C=O)ccc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(c(N2CCN(Cc3ccccc3)CC2)ccc(c1)C=O)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8128649
LogD (pH = 7.4)
3.1034248
Log P
3.2214808
Molar Refractivity
93.4549
Polarizability
34.800728
Polar Surface Area
47.34
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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