Molecule

ID:62699

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉Cl₂N₃O
Molecular Mass
244.16196
Exact Mass
243.0905176
Charge
0
InChI
InChI=1S/C8H17N3O.2ClH/c1-6(2)11-4-3-10-7(5-11)8(9)12;;/h6-7,10H,3-5H2,1-2H3,(H2,9,12);2*1H
InChIKey
ZYKRHSNZNOIAEB-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCNC(C1)C(=O)N)C.Cl.Cl
Isomeric Smiles
C1(C(=O)N)CN(C(C)C)CCN1.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.480045
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.002024
LogD (pH = 7.4)
-2.566761
Log P
-0.6893789
Molar Refractivity
47.563
Polarizability
18.999018
Polar Surface Area
58.36
Rotatable Bonds
2
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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