Molecule

ID:19650

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChIKey
WBSMIPLNPSCJFS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)Cl
Isomeric Smiles
c1(cc(ccc1OC)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5871061
LogD (pH = 7.4)
1.5906479
Log P
1.5906932
Molar Refractivity
42.0264
Polarizability
15.859723
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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