Molecule

ID:62649

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₃N₃
Molecular Mass
284.61314
Exact Mass
283.04098057
Charge
0
InChI
InChI=1S/C10H14ClN3.2ClH/c1-14-5-3-2-4-9(14)8-6-12-7-10(11)13-8;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKey
GJEMKBPDGIFSIA-UHFFFAOYSA-N
Canonic Smiles
CN1CCCCC1c1cncc(n1)Cl.Cl.Cl
Isomeric Smiles
n1c(C2N(C)CCCC2)cncc1Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5402737
LogD (pH = 7.4)
1.4101897
Log P
1.4473139
Molar Refractivity
57.5181
Polarizability
22.329477
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
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Molecule Details
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References
Bioactivity
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