Molecule

ID:25633

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClN₂O₂
Molecular Mass
284.69716
Exact Mass
284.03525522
Charge
0
InChI
InChI=1S/C15H9ClN2O2/c16-11-5-3-4-9-10(15(19)20)8-13(18-14(9)11)12-6-1-2-7-17-12/h1-8H,(H,19,20)
InChIKey
NUYAQQAUIUUNOM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2Cl)c1ccccn1
Isomeric Smiles
n1c2c(c(cc1c1ncccc1)C(=O)O)cccc2Cl
Calculated Properties
JChem
Acid pKa
3.6542926
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6577806
LogD (pH = 7.4)
0.23687564
Log P
3.2250237
Molar Refractivity
74.2756
Polarizability
31.226307
Polar Surface Area
63.08
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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