Molecule

ID:123913

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₄O
Molecular Mass
279.16624
Exact Mass
278.07011651
Charge
0
InChI
InChI=1S/C10H16Cl2N4O/c1-15(2)5-3-4-13-8(17)6-16-7-14-9(11)10(16)12/h7H,3-6H2,1-2H3,(H,13,17)
InChIKey
RLOVYXMSSHVQNX-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNC(=O)Cn1cnc(c1Cl)Cl)C
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)CC(=O)NCCCN(C)C
Calculated Properties
JChem
Acid pKa
13.340068
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1301985
LogD (pH = 7.4)
-1.6976184
Log P
0.19505006
Molar Refractivity
70.2695
Polarizability
26.739243
Polar Surface Area
50.16
Rotatable Bonds
6
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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