Molecule

ID:81067

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO
Molecular Mass
231.6776
Exact Mass
231.04509163
Charge
0
InChI
InChI=1S/C13H10ClNO/c14-12-8-6-11(7-9-12)10-15(16)13-4-2-1-3-5-13/h1-10H
InChIKey
JYXDRMQUJFWNKR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C=[N+](/c1ccccc1)\[O-]
Isomeric Smiles
[N+](=C\c1ccc(cc1)Cl)(/c1ccccc1)\[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8671353
LogD (pH = 7.4)
3.8673267
Log P
3.8673294
Molar Refractivity
76.036
Polarizability
24.867775
Polar Surface Area
28.75
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
No Data Available
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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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