Molecule

ID:62966

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₄O
Molecular Mass
281.18212
Exact Mass
280.08576658
Charge
0
InChI
InChI=1S/C10H16N4O.2ClH/c1-14(2)10-12-4-3-8(13-10)9-7-11-5-6-15-9;;/h3-4,9,11H,5-7H2,1-2H3;2*1H
InChIKey
ZFLWRWMCWLKGNU-UHFFFAOYSA-N
Canonic Smiles
CN(c1nccc(n1)C1OCCNC1)C.Cl.Cl
Isomeric Smiles
c1(nc(C2OCCNC2)ccn1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7823397
LogD (pH = 7.4)
-0.07213411
Log P
0.4698419
Molar Refractivity
58.6425
Polarizability
22.21982
Polar Surface Area
50.28
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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