Molecule

ID:90803

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKey
HTRVZYIRGNFKCB-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CCl
Isomeric Smiles
NCc1ccc(cc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3015307
LogD (pH = 7.4)
-0.36144915
Log P
1.6862563
Molar Refractivity
44.3983
Polarizability
17.345606
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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