Molecule

ID:116755

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKey
VJDYDIGWWLACKF-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccnc1Cl
Isomeric Smiles
c1(ncccc1OCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7789148
LogD (pH = 7.4)
1.7789317
Log P
1.778932
Molar Refractivity
40.979
Polarizability
15.7562275
Polar Surface Area
22.12
Rotatable Bonds
2
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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