Molecule

ID:7221

General Information
Structure
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5,10H2,1H3
InChIKey
WTSJOJUKDNGALK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1C)Cl
Isomeric Smiles
c1c(cc(c(c1)CN)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.76739836
LogD (pH = 7.4)
0.2026279
Log P
2.2164803
Molar Refractivity
44.3774
Polarizability
17.317215
Polar Surface Area
26.02
Rotatable Bonds
1
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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