Molecule

ID:55336

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇Cl₂N₃
Molecular Mass
238.15738
Exact Mass
237.07995292
Charge
0
InChI
InChI=1S/C9H15N3.2ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;;/h1,4,7,9-10H,2-3,5-6,8H2;2*1H
InChIKey
AKVUEHPEOMOCED-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Cn1cccn1.Cl.Cl
Isomeric Smiles
C1CNCCC1Cn1nccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.726142
LogD (pH = 7.4)
-2.266576
Log P
0.5054648
Molar Refractivity
59.9358
Polarizability
18.90161
Polar Surface Area
29.85
Rotatable Bonds
2
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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