Molecule

ID:74711

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₄N₃
Molecular Mass
319.0582
Exact Mass
317.00200822
Charge
0
InChI
InChI=1S/C10H13Cl2N3.2ClH/c11-8-6-14-7-9(12)10(8)15-4-1-2-13-3-5-15;;/h6-7,13H,1-5H2;2*1H
InChIKey
WJYZTPLPVLJTJD-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(c1N1CCNCCC1)Cl.Cl.Cl
Isomeric Smiles
n1cc(c(c(c1)Cl)N1CCNCCC1)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.758289
LogD (pH = 7.4)
-0.54113847
Log P
1.5957379
Molar Refractivity
63.5601
Polarizability
24.384893
Polar Surface Area
28.16
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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