Molecule

ID:124276

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₃
Molecular Mass
250.63788
Exact Mass
250.01451977
Charge
0
InChI
InChI=1S/C11H7ClN2O3/c12-7-3-1-2-6(4-7)9-13-5-8(11(16)17)10(15)14-9/h1-5H,(H,16,17)(H,13,14,15)
InChIKey
CIODLTDRXGCVMZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)c1ncc(c(=O)[nH]1)C(=O)O
Isomeric Smiles
c1(c(=O)[nH]c(nc1)c1cc(Cl)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3968363
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.55423075
LogD (pH = 7.4)
-1.8674195
Log P
1.5363783
Molar Refractivity
60.8993
Polarizability
22.980774
Polar Surface Area
78.76
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
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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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