Molecule

ID:40159

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2
InChIKey
SNHGRCYDLKXNSH-UHFFFAOYSA-N
Canonic Smiles
OCc1onc(n1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(noc1CO)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
12.836085
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1187184
LogD (pH = 7.4)
2.1187167
Log P
2.1187184
Molar Refractivity
63.0329
Polarizability
20.095264
Polar Surface Area
59.15
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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