Molecule

ID:62899

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉Cl₂N₅O
Molecular Mass
284.18606
Exact Mass
283.09666561
Charge
0
InChI
InChI=1S/C9H17N5O.2ClH/c1-13(2)7-9(15)11-3-4-14-6-8(10)5-12-14;;/h5-6H,3-4,7,10H2,1-2H3,(H,11,15);2*1H
InChIKey
MQJLRXHYJMEAIL-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)NCCn1ncc(c1)N)C.Cl.Cl
Isomeric Smiles
n1n(cc(c1)N)CCNC(=O)CN(C)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.407893
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.5075173
LogD (pH = 7.4)
-1.8694545
Log P
-1.5144588
Molar Refractivity
70.4844
Polarizability
22.07922
Polar Surface Area
76.18
Rotatable Bonds
5
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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