Molecule

ID:15786

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO
Molecular Mass
171.6241
Exact Mass
171.04509163
Charge
0
InChI
InChI=1S/C8H10ClNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5,10H2
InChIKey
SKLZUIZCCAYHOB-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cccc(c1)Cl
Isomeric Smiles
c1cc(cc(c1)OCCN)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3389624
LogD (pH = 7.4)
-0.23332402
Log P
1.6226354
Molar Refractivity
45.2758
Polarizability
18.080019
Polar Surface Area
35.25
Rotatable Bonds
3
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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