Molecule

ID:73754

General Information
Structure
Molecular Formula
C₈H₁₀ClNO
Molecular Mass
171.6241
Exact Mass
171.04509163
Charge
0
InChI
InChI=1S/C8H10ClNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
InChIKey
NAPNYPMMDVRKGM-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccccc1Cl
Isomeric Smiles
O(c1c(cccc1)Cl)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.338957
LogD (pH = 7.4)
-0.23329097
Log P
1.6226354
Molar Refractivity
45.2758
Polarizability
18.097486
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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