Molecule

ID:55293

General Information
Structure
Molecular Formula
C₁₀H₁₆Cl₃N₃
Molecular Mass
284.61314
Exact Mass
283.04098057
Charge
0
InChI
InChI=1S/C10H14ClN3.2ClH/c11-10-2-1-9(7-13-10)8-14-5-3-12-4-6-14;;/h1-2,7,12H,3-6,8H2;2*1H
InChIKey
AJTIVHSPXBIEOC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(Cl)ccc(c1)CN1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1336565
LogD (pH = 7.4)
-0.820223
Log P
0.98526365
Molar Refractivity
59.0653
Polarizability
22.883572
Polar Surface Area
28.16
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
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Molecule Details
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References
Bioactivity
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