Molecule

ID:69772

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey
NDWAVJKRSASRPH-UHFFFAOYSA-N
Canonic Smiles
OCCc1cccc(c1)Cl
Isomeric Smiles
C(Cc1cc(ccc1)Cl)O
Calculated Properties
JChem
Acid pKa
15.857136
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0986018
LogD (pH = 7.4)
2.0986018
Log P
2.0986018
Molar Refractivity
42.4337
Polarizability
16.414234
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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