Molecule

ID:77259

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN₅
Molecular Mass
241.72054
Exact Mass
241.10942322
Charge
0
InChI
InChI=1S/C10H15N5.ClH/c1-6-3-4-8(5-7(6)2)14-10(13)15-9(11)12;/h3-5H,1-2H3,(H6,11,12,13,14,15);1H
InChIKey
VJKZPYWWOZTEOE-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=N)Nc1ccc(c(c1)C)C.Cl
Isomeric Smiles
N(C(=N)Nc1ccc(c(c1)C)C)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-2.9510314
LogD (pH = 7.4)
-1.5662885
Log P
1.7529058
Molar Refractivity
82.9888
Polarizability
22.399572
Polar Surface Area
97.78
Rotatable Bonds
1
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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