Molecule

ID:41932

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNO₄
Molecular Mass
215.59054
Exact Mass
214.99853536
Charge
0
InChI
InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChIKey
VCYWZLGOWNCJNJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
c1(cc(ccc1Cl)[N+](=O)[O-])C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5207517
LogD (pH = 7.4)
2.5207517
Log P
2.5207517
Molar Refractivity
49.2086
Polarizability
18.687868
Polar Surface Area
69.44
Rotatable Bonds
3
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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