Molecule

ID:64692

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey
PMTPFBWHUOWTNN-UHFFFAOYSA-N
Canonic Smiles
COc1ccnc(c1)Cl
Isomeric Smiles
c1c(cc(nc1)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.421588
LogD (pH = 7.4)
1.4221172
Log P
1.422124
Molar Refractivity
36.2304
Polarizability
13.905986
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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