Molecule

ID:32442

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey
TXBHLLHHHQAFNN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)cnc1
Isomeric Smiles
c1(cncc(c1)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2008722
LogD (pH = 7.4)
1.2019333
Log P
1.2019469
Molar Refractivity
35.1691
Polarizability
13.863648
Polar Surface Area
22.12
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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