Molecule

ID:36550

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-13-4-2-3-7(13)5-8-9(6-11)12-15-10(8)14/h2-5H,6H2,1H3/b8-5+
InChIKey
NDIOEJYJTBMNMK-VMPITWQZSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1cccn1C
Isomeric Smiles
C\1(=C\c2n(ccc2)C)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4229085
LogD (pH = 7.4)
2.4229116
Log P
2.422912
Molar Refractivity
57.301
Polarizability
21.48061
Polar Surface Area
43.59
Rotatable Bonds
2
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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