Molecule

ID:33922

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂ClN₃O₂
Molecular Mass
287.78568
Exact Mass
287.14005464
Charge
0
InChI
InChI=1S/C13H22ClN3O2/c14-10-11(18)16-8-4-13(5-9-16,12(15)19)17-6-2-1-3-7-17/h1-10H2,(H2,15,19)
InChIKey
WMOACOKTQUHCBH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCC(CC1)(C(=O)N)N1CCCCC1
Isomeric Smiles
C1(N2CCCCC2)(C(=O)N)CCN(C(=O)CCl)CC1
Calculated Properties
JChem
Acid pKa
15.468117
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.825878
LogD (pH = 7.4)
-1.0540501
Log P
-0.26923227
Molar Refractivity
74.5522
Polarizability
29.040062
Polar Surface Area
66.64
Rotatable Bonds
3
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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