Molecule

ID:83644

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₄
Molecular Mass
270.66904
Exact Mass
270.04073452
Charge
0
InChI
InChI=1S/C11H11ClN2O4/c1-18-10-6-9(14(16)17)8(5-7(10)12)13-4-2-3-11(13)15/h5-6H,2-4H2,1H3
InChIKey
YDYDGHIERKYMRV-UHFFFAOYSA-N
Canonic Smiles
COc1cc([N+](=O)[O-])c(cc1Cl)N1CCCC1=O
Isomeric Smiles
[N+](=O)(c1cc(c(cc1N1C(=O)CCC1)Cl)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6883829
LogD (pH = 7.4)
1.6883829
Log P
1.6883829
Molar Refractivity
65.5249
Polarizability
24.600801
Polar Surface Area
75.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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