Molecule

ID:82130

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N
Molecular Mass
220.1388
Exact Mass
219.05815485
Charge
0
InChI
InChI=1S/C10H14ClN.ClH/c1-9(12-8-7-11)10-5-3-2-4-6-10;/h2-6,9,12H,7-8H2,1H3;1H
InChIKey
WZRCVXBCXASHDN-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(c1ccccc1)C.Cl
Isomeric Smiles
N(CCCl)C(c1ccccc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3116683
LogD (pH = 7.4)
1.2880795
Log P
2.6126595
Molar Refractivity
53.0681
Polarizability
21.03755
Polar Surface Area
12.03
Rotatable Bonds
4
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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