Molecule

ID:23136

General Information
Structure
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-10-4-2-3-5-14(10)20-9-15(19)18-11-6-7-12(16)13(17)8-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
CGTXIFLCJLEBQV-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)COc1ccccc1C
Isomeric Smiles
c1(cc(NC(=O)COc2c(C)cccc2)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
12.540737
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.016098
LogD (pH = 7.4)
3.016393
Log P
3.0163999
Molar Refractivity
81.4295
Polarizability
30.256672
Polar Surface Area
64.35
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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