Molecule

ID:89181

General Information
Structure
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Molecular Formula
C₁₀H₁₆ClN
Molecular Mass
185.69374
Exact Mass
185.0971272
Charge
0
InChI
InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKey
KXHPPCXNWTUNSB-UHFFFAOYSA-M
Canonic Smiles
C[N+](Cc1ccccc1)(C)C.[Cl-]
Isomeric Smiles
[N+](Cc1ccccc1)(C)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
18.822325
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.247694
LogD (pH = 7.4)
-2.247694
Log P
-2.247694
Molar Refractivity
60.5143
Polarizability
19.203337
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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