Molecule

ID:62359

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂N₄O
Molecular Mass
267.15554
Exact Mass
266.07011651
Charge
0
InChI
InChI=1S/C9H14N4O.2ClH/c10-9-12-7(4-8(14)13-9)6-2-1-3-11-5-6;;/h4,6,11H,1-3,5H2,(H3,10,12,13,14);2*1H
InChIKey
IRWVSCPEZJBRQD-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(n1)N)C1CCCNC1.Cl.Cl
Isomeric Smiles
n1c(nc(cc1O)C1CNCCC1)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.112384
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.6114666
LogD (pH = 7.4)
-1.6401267
Log P
0.58134323
Molar Refractivity
54.5322
Polarizability
20.228312
Polar Surface Area
84.06
Rotatable Bonds
1
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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