Molecule

ID:40788

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKey
HMPDWSBKPCOQDW-UHFFFAOYSA-N
Canonic Smiles
OCc1cccnc1Cl
Isomeric Smiles
c1(c(CO)cccn1)Cl
Calculated Properties
JChem
Acid pKa
14.416878
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.81243616
LogD (pH = 7.4)
0.81244534
Log P
0.81244546
Molar Refractivity
36.5831
Polarizability
13.85013
Polar Surface Area
33.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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