Molecule

ID:51510

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂O₄
Molecular Mass
230.60518
Exact Mass
230.00943439
Charge
0
InChI
InChI=1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3
InChIKey
OXOWYVJYDSTHGX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C(=O)OCC)c(nc1)Cl
Isomeric Smiles
[N+](=O)(c1cc(c(nc1)Cl)C(=O)OCC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8800644
LogD (pH = 7.4)
1.8800644
Log P
1.8800644
Molar Refractivity
52.8616
Polarizability
19.748617
Polar Surface Area
82.33
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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