Molecule

ID:27346

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₃
Molecular Mass
294.7335
Exact Mass
294.07712003
Charge
0
InChI
InChI=1S/C14H15ClN2O3/c1-8-5-11(6-9(2)13(8)15)19-7-10-3-4-12(20-10)14(18)17-16/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKey
SPRKQXQIOQNNEI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)COc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(C(=O)NN)oc(cc1)COc1cc(c(c(c1)C)Cl)C
Calculated Properties
JChem
Acid pKa
11.896413
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.704866
LogD (pH = 7.4)
2.7053292
Log P
2.7053475
Molar Refractivity
77.8519
Polarizability
29.012438
Polar Surface Area
77.49
Rotatable Bonds
4
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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