Molecule

ID:80135

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇Cl₃N₅P
Molecular Mass
380.640341
Exact Mass
379.02871524
Charge
0
InChI
InChI=1S/C13H17Cl3N5P/c1-20(2)22(21(3)4)18-11(10-8-6-5-7-9-10)17-12(19-22)13(14,15)16/h5-9H,1-4H3
InChIKey
XDMBQPFRINGCRN-UHFFFAOYSA-N
Canonic Smiles
CN(P1(=NC(=NC(=N1)c1ccccc1)C(Cl)(Cl)Cl)N(C)C)C
Isomeric Smiles
P1(=NC(=NC(=N1)c1ccccc1)C(Cl)(Cl)Cl)(N(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6330467
LogD (pH = 7.4)
1.633221
Log P
1.6332233
Molar Refractivity
95.4331
Polarizability
36.502064
Polar Surface Area
43.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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