Molecule

ID:78802

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₄O₃
Molecular Mass
318.71514
Exact Mass
318.05196791
Charge
0
InChI
InChI=1S/C14H11N4O3.ClH/c19-18(20)12-6-4-5-11(9-12)14-15-13(21-16-14)10-17-7-2-1-3-8-17;/h1-9H,10H2;1H/q+1;/p-1
InChIKey
FHXPHYUQYUVDHA-UHFFFAOYSA-M
Canonic Smiles
[O-][N+](=O)c1cccc(c1)c1noc(n1)C[n+]1ccccc1.[Cl-]
Isomeric Smiles
n1c(onc1c1cc(ccc1)[N+](=O)[O-])C[n+]1ccccc1.[Cl-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.1959865
LogD (pH = 7.4)
-1.1959865
Log P
-1.1959865
Molar Refractivity
87.348
Polarizability
28.306427
Polar Surface Area
88.62
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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