Molecule

ID:129454

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈N₄
Molecular Mass
350.41582
Exact Mass
350.1531466
Charge
0
InChI
InChI=1S/C23H18N4/c1-3-19-21(26-9-1)22-20(4-2-10-27-22)23(19,15-17-5-11-24-12-6-17)16-18-7-13-25-14-8-18/h1-14H,15-16H2
InChIKey
FJYRSJDIZKTXKB-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)CC1(Cc2ccncc2)c2cccnc2c2c1cccn2
Isomeric Smiles
c1cnccc1CC1(Cc2ccncc2)c2cccnc2c2c1cccn2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8945687
LogD (pH = 7.4)
3.3748643
Log P
3.3838418
Molar Refractivity
114.4119
Polarizability
41.508938
Polar Surface Area
51.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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