Molecule

ID:36557

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂NO₃
Molecular Mass
272.08418
Exact Mass
270.98029845
Charge
0
InChI
InChI=1S/C11H7Cl2NO3/c12-5-9-7(11(16)17-14-9)3-6-1-2-10(15)8(13)4-6/h1-4,15H,5H2/b7-3+
InChIKey
NDVQFYQJHFKNBG-XVNBXDOJSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(c(c1)Cl)O
Isomeric Smiles
C\1(=C\c2cc(c(cc2)O)Cl)/C(=O)ON=C1CCl
Calculated Properties
JChem
Acid pKa
7.7718754
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4975297
LogD (pH = 7.4)
3.3473961
Log P
3.4998298
Molar Refractivity
64.5537
Polarizability
24.575895
Polar Surface Area
58.89
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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