Molecule

ID:33163

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClN₂O
Molecular Mass
244.67636
Exact Mass
244.0403406
Charge
0
InChI
InChI=1S/C13H9ClN2O/c14-9-4-5-11-12(7-9)17-13(16-11)8-2-1-3-10(15)6-8/h1-7H,15H2
InChIKey
UYOQZGWIBYYUPP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)oc(n2)c1cccc(c1)N
Isomeric Smiles
c1(nc2c(o1)cc(cc2)Cl)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1180184
LogD (pH = 7.4)
3.1197324
Log P
3.1197543
Molar Refractivity
77.3299
Polarizability
27.1174
Polar Surface Area
52.05
Rotatable Bonds
1
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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