Molecule

ID:124807

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)7-5-12-4-6(10)2-3-8(12)11-7/h2-5H,1H3
InChIKey
AVXWKRQPFKPVOW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn2c(n1)ccc(c2)Cl
Isomeric Smiles
c1(nc2n(c1)cc(cc2)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5409783
LogD (pH = 7.4)
1.5527688
Log P
1.5529214
Molar Refractivity
52.3945
Polarizability
19.671032
Polar Surface Area
43.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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