Molecule

ID:68814

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₃N₂
Molecular Mass
269.5985
Exact Mass
268.03008153
Charge
0
InChI
InChI=1S/C10H13ClN2.2ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2;2*1H
InChIKey
OSZCTRWSGNWWBL-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)N1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCNCC1)c1cc(ccc1)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8511092
LogD (pH = 7.4)
0.6721104
Log P
2.149406
Molar Refractivity
56.0468
Polarizability
21.49175
Polar Surface Area
15.27
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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