Molecule

ID:120519

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c10-8(6-11)5-7-1-3-9(4-2-7)12(13)14/h1-4,8H,5H2
InChIKey
MZPNWHGZPIHRNC-UHFFFAOYSA-N
Canonic Smiles
ClC(Cc1ccc(cc1)[N+](=O)[O-])C#N
Isomeric Smiles
[N+](=O)(c1ccc(CC(C#N)Cl)cc1)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5370219
LogD (pH = 7.4)
2.5370219
Log P
2.5370219
Molar Refractivity
52.8138
Polarizability
19.4637
Polar Surface Area
69.61
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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