Molecule

ID:79737

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H16NO.ClH/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1
InChIKey
SYJWGWGXINQCSX-UHFFFAOYSA-M
Canonic Smiles
O=C(c1ccccc1)/C=C/[N+](C)(C)C.[Cl-]
Isomeric Smiles
[N+](/C=C/C(=O)c1ccccc1)(C)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
15.030364
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.2871153
LogD (pH = 7.4)
-2.2871153
Log P
-2.2871153
Molar Refractivity
70.7266
Polarizability
22.670137
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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