Molecule

ID:120971

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN₅
Molecular Mass
269.7737
Exact Mass
269.14072335
Charge
0
InChI
InChI=1S/C12H20ClN5/c1-17-7-9-18(10-8-17)6-2-5-14-12-4-3-11(13)15-16-12/h3-4H,2,5-10H2,1H3,(H,14,16)
InChIKey
ZXTQGRCMNKSNIR-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCCNc1ccc(nn1)Cl
Isomeric Smiles
n1nc(Cl)ccc1NCCCN1CCN(CC1)C
Calculated Properties
JChem
Acid pKa
18.993292
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.2799053
LogD (pH = 7.4)
-0.52656454
Log P
0.5929848
Molar Refractivity
79.0724
Polarizability
28.6837
Polar Surface Area
44.29
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
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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