Molecule

ID:62643

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃
Molecular Mass
248.1522
Exact Mass
247.06430286
Charge
0
InChI
InChI=1S/C10H14ClN3.ClH/c1-14-6-2-3-8(7-14)9-10(11)13-5-4-12-9;/h4-5,8H,2-3,6-7H2,1H3;1H
InChIKey
WCOLVNPMOYOFGE-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)c1nccnc1Cl.Cl
Isomeric Smiles
c1(C2CN(CCC2)C)c(nccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.80286926
LogD (pH = 7.4)
0.8115785
Log P
1.1360263
Molar Refractivity
57.7741
Polarizability
22.255497
Polar Surface Area
29.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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