Molecule

ID:88907

General Information
Structure
Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
YRGAYAGBVIXNAQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cl
Isomeric Smiles
O(c1ccc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4196193
LogD (pH = 7.4)
2.4196193
Log P
2.4196193
Molar Refractivity
37.326
Polarizability
14.704364
Polar Surface Area
9.23
Rotatable Bonds
1
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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