Molecule

ID:53412

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₃
Molecular Mass
252.65376
Exact Mass
252.03016984
Charge
0
InChI
InChI=1S/C11H9ClN2O3/c1-17-11-7-10(14(15)16)9(6-8(11)12)13-4-2-3-5-13/h2-7H,1H3
InChIKey
ILFYGBJSMQIDFB-UHFFFAOYSA-N
Canonic Smiles
COc1cc([N+](=O)[O-])c(cc1Cl)n1cccc1
Isomeric Smiles
c1([N+](=O)[O-])c(n2cccc2)cc(c(c1)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7807
LogD (pH = 7.4)
2.7807
Log P
2.7807
Molar Refractivity
74.4031
Polarizability
24.629547
Polar Surface Area
59.98
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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