Molecule

ID:88635

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)8-3-6-7(12-8)2-5(10)4-11-6/h2-4,12H,1H3
InChIKey
KJDJURGGHBNVMM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c([nH]1)cc(cn2)Cl
Isomeric Smiles
n1c2c(cc(c1)Cl)[nH]c(c2)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.170846
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7660271
LogD (pH = 7.4)
1.76129
Log P
1.7677084
Molar Refractivity
51.3232
Polarizability
20.978352
Polar Surface Area
54.98
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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