Molecule

ID:33518

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClN₃O₂
Molecular Mass
279.72216
Exact Mass
279.07745438
Charge
0
InChI
InChI=1S/C13H14ClN3O2/c1-3-17(2)13(18)10-6-4-5-9(7-10)12-15-11(8-14)19-16-12/h4-7H,3,8H2,1-2H3
InChIKey
PMABTQCCWOAMRD-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccc(c1)c1noc(n1)CCl)C
Isomeric Smiles
n1c(noc1CCl)c1cc(C(=O)N(CC)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.53279
LogD (pH = 7.4)
2.5327902
Log P
2.5327902
Molar Refractivity
84.8995
Polarizability
27.775667
Polar Surface Area
59.23
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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