Molecule

ID:68254

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChIKey
KUIFMGITZFDQMP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1N
Isomeric Smiles
C(=O)c1c(ccc(c1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.110797
LogD (pH = 7.4)
2.110866
Log P
2.1108668
Molar Refractivity
42.1472
Polarizability
15.238837
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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