Molecule

ID:62967

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Cl₂N₃
Molecular Mass
238.15738
Exact Mass
237.07995292
Charge
0
InChI
InChI=1S/C9H15N3.2ClH/c1-12-7-11-6-9(12)8-2-4-10-5-3-8;;/h6-8,10H,2-5H2,1H3;2*1H
InChIKey
TUHHNDHSYYEDFV-UHFFFAOYSA-N
Canonic Smiles
Cn1cncc1C1CCNCC1.Cl.Cl
Isomeric Smiles
c1(n(cnc1)C)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.749236
LogD (pH = 7.4)
-2.6542463
Log P
0.025564166
Molar Refractivity
49.285
Polarizability
18.8279
Polar Surface Area
29.85
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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