Molecule

ID:102797

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇ClN₄
Molecular Mass
348.82878
Exact Mass
348.11417424
Charge
0
InChI
InChI=1S/C20H17N4.ClH/c1-16-10-8-9-15-19(16)24-22-20(17-11-4-2-5-12-17)21-23(24)18-13-6-3-7-14-18;/h2-15H,1H3;1H/q+1;/p-1
InChIKey
BTQGWTXQSRIHRC-UHFFFAOYSA-M
Canonic Smiles
Cc1ccccc1[n+]1nc(nn1c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
Cc1ccccc1[n+]1nc(nn1c1ccccc1)c1ccccc1.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1574259
LogD (pH = 7.4)
3.1574259
Log P
3.1574259
Molar Refractivity
129.3442
Polarizability
38.299534
Polar Surface Area
34.59
Rotatable Bonds
3
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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