Molecule

ID:23166

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,17H2,1H3,(H,18,19)
InChIKey
MXPXYTXFRIDTNR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccccc1)C)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1ccccc1)C
Calculated Properties
JChem
Acid pKa
12.690915
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0714107
LogD (pH = 7.4)
3.0717363
Log P
3.0717428
Molar Refractivity
80.8822
Polarizability
30.331469
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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