Molecule

ID:81299

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₄
Molecular Mass
234.68484
Exact Mass
234.06722405
Charge
0
InChI
InChI=1S/C11H11ClN4/c1-8-10(11(12)16(2)15-8)14-13-9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
VVHYNADMYWBVPW-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1/N=N/c1ccccc1)Cl)C
Isomeric Smiles
n1(c(c(c(n1)C)/N=N/c1ccccc1)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2573917
LogD (pH = 7.4)
3.2574246
Log P
3.257425
Molar Refractivity
78.6778
Polarizability
23.840593
Polar Surface Area
42.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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