Molecule

ID:83741

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₃N₅O
Molecular Mass
360.62628
Exact Mass
359.01074307
Charge
0
InChI
InChI=1S/C13H12Cl3N5O/c1-20(2)8-10(11(22)13(14,15)16)12-17-18-19-21(12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
IVBYHWGGWHZRTM-UHFFFAOYSA-N
Canonic Smiles
CN(/C=C(\C(=O)C(Cl)(Cl)Cl)/c1nnnn1c1ccccc1)C
Isomeric Smiles
n1(c2ccccc2)c(nnn1)/C(=C/N(C)C)/C(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.2748926
LogD (pH = 7.4)
3.2859108
Log P
3.2860532
Molar Refractivity
90.9258
Polarizability
33.38621
Polar Surface Area
63.91
Rotatable Bonds
5
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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