Molecule

ID:13659

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClNO₂
Molecular Mass
157.55446
Exact Mass
156.99305605
Charge
0
InChI
InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey
QXCOHSRHFCHCHN-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1ccnc(c1)Cl)O
Calculated Properties
JChem
Acid pKa
3.5784507
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.67878217
LogD (pH = 7.4)
-2.1130676
Log P
1.2373781
Molar Refractivity
37.0234
Polarizability
13.805401
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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