Molecule

ID:80359

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂NO
Molecular Mass
236.1382
Exact Mass
235.05306947
Charge
0
InChI
InChI=1S/C10H14ClNO.ClH/c11-6-10(13)8-12-7-9-4-2-1-3-5-9;/h1-5,10,12-13H,6-8H2;1H
InChIKey
RTNZUPHLOGUKCU-UHFFFAOYSA-N
Canonic Smiles
ClCC(CNCc1ccccc1)O.Cl
Isomeric Smiles
N(CC(O)CCl)Cc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
14.016061
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4120013
LogD (pH = 7.4)
0.13747367
Log P
1.5657495
Molar Refractivity
54.6118
Polarizability
21.65141
Polar Surface Area
32.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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