Molecule

ID:40355

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂NO
Molecular Mass
260.1596
Exact Mass
259.05306947
Charge
0
InChI
InChI=1S/C12H14ClNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H
InChIKey
LZUYKOBTHSPKED-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)C1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)Cl)C1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
16.554249
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9835419
LogD (pH = 7.4)
-0.3287617
Log P
2.2385159
Molar Refractivity
61.6972
Polarizability
24.09127
Polar Surface Area
29.1
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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