Molecule

ID:51252

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₄
Molecular Mass
255.6544
Exact Mass
255.02983549
Charge
0
InChI
InChI=1S/C11H10ClNO4/c1-15-8-4-6(11(14)16-2)3-7-10(8)17-9(5-12)13-7/h3-4H,5H2,1-2H3
InChIKey
ZSGJZVPUUJKLPG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc2c1oc(n2)CCl)C(=O)OC
Isomeric Smiles
n1c2c(oc1CCl)c(cc(C(=O)OC)c2)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8260795
LogD (pH = 7.4)
1.8260796
Log P
1.8260796
Molar Refractivity
60.4055
Polarizability
24.500998
Polar Surface Area
61.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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