Molecule

ID:21032

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂NO
Molecular Mass
234.12232
Exact Mass
233.0374194
Charge
0
InChI
InChI=1S/C10H12ClNO.ClH/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKey
LTLSKZXQXKHRPE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2c(cccc2)Cl)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.225789
LogD (pH = 7.4)
-0.71025443
Log P
2.0034177
Molar Refractivity
52.617
Polarizability
21.050999
Polar Surface Area
21.26
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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