Molecule

ID:28302

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₃
Molecular Mass
252.65376
Exact Mass
252.03016984
Charge
0
InChI
InChI=1S/C11H9ClN2O3/c12-8-1-3-9(4-2-8)17-7-14-10(11(15)16)5-6-13-14/h1-6H,7H2,(H,15,16)
InChIKey
GYKLRPNBQKOMDP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCn1nccc1C(=O)O
Isomeric Smiles
c1(n(ncc1)COc1ccc(Cl)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4575806
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.30256897
LogD (pH = 7.4)
-1.0512862
Log P
2.3368852
Molar Refractivity
72.2616
Polarizability
23.544498
Polar Surface Area
64.35
Rotatable Bonds
4
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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