Molecule

ID:36506

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₄
Molecular Mass
266.63728
Exact Mass
266.00943439
Charge
0
InChI
InChI=1S/C11H7ClN2O4/c12-6-9-8(11(15)18-13-9)5-7-3-1-2-4-10(7)14(16)17/h1-5H,6H2/b8-5+
InChIKey
KXKMKXGHKVABLY-VMPITWQZSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccccc1[N+](=O)[O-]
Isomeric Smiles
C\1(=C\c2c([N+](=O)[O-])cccc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1393342
LogD (pH = 7.4)
3.1393347
Log P
3.1393347
Molar Refractivity
65.0927
Polarizability
23.966017
Polar Surface Area
84.48
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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