Molecule

ID:122384

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O
Molecular Mass
208.64426
Exact Mass
208.0403406
Charge
0
InChI
InChI=1S/C10H9ClN2O/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,12H2,1H3
InChIKey
UHWNZTCXHWOFSX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1c(N)onc1C
Isomeric Smiles
c1(c(onc1C)N)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
16.043491
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9802659
LogD (pH = 7.4)
1.9807898
Log P
1.9807965
Molar Refractivity
55.9862
Polarizability
22.019768
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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