Molecule

ID:22786

General Information
Structure
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-10-8-11(16)2-7-14(10)20-9-15(19)18-13-5-3-12(17)4-6-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
BYIQRNYXMXZEBM-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)COc1ccc(cc1C)Cl
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1c(cc(cc1)Cl)C
Calculated Properties
JChem
Acid pKa
12.792247
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0077524
LogD (pH = 7.4)
3.016288
Log P
3.0163999
Molar Refractivity
81.4295
Polarizability
30.248638
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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