Molecule

ID:102175

General Information
Structure
MolImage
Molecular Formula
C₇H₂₂Cl₃N₃
Molecular Mass
254.62868
Exact Mass
253.08793076
Charge
0
InChI
InChI=1S/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9;;;/h10H,1-9H2;3*1H
InChIKey
LCNBIHVSOPXFMR-UHFFFAOYSA-N
Canonic Smiles
NCCCNCCCCN.Cl.Cl.Cl
Isomeric Smiles
Cl.Cl.Cl.NCCCCNCCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-10.062785
LogD (pH = 7.4)
-7.799325
Log P
-1.1495639
Molar Refractivity
44.9684
Polarizability
18.22489
Polar Surface Area
64.07
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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