Molecule

ID:65599

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₄
Molecular Mass
247.67546
Exact Mass
247.06113561
Charge
0
InChI
InChI=1S/C10H14ClNO4/c1-13-8-7(10(15-3)16-4)6(11)5-12-9(8)14-2/h5,10H,1-4H3
InChIKey
FQQJYWSZCTUPIF-UHFFFAOYSA-N
Canonic Smiles
COC(c1c(Cl)cnc(c1OC)OC)OC
Isomeric Smiles
c1(cnc(c(c1C(OC)OC)OC)OC)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7934064
LogD (pH = 7.4)
1.7934123
Log P
1.7934123
Molar Refractivity
59.294
Polarizability
23.376862
Polar Surface Area
49.81
Rotatable Bonds
5
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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