Molecule

ID:110250

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClN
Molecular Mass
143.614
Exact Mass
143.05017701
Charge
0
InChI
InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H
InChIKey
JQKBUTDZZRGQDR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)N.Cl
Isomeric Smiles
Cl.Cc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5426136
LogD (pH = 7.4)
1.6560819
Log P
1.6577413
Molar Refractivity
35.7996
Polarizability
13.262377
Polar Surface Area
26.02
Rotatable Bonds
0
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
No Data Available
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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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