Molecule

ID:62897

General Information
Structure
Molecular Formula
C₈H₁₆Cl₂N₄O₂
Molecular Mass
271.14424
Exact Mass
270.06503113
Charge
0
InChI
InChI=1S/C8H14N4O2.2ClH/c1-14-6-8(13)10-2-3-12-5-7(9)4-11-12;;/h4-5H,2-3,6,9H2,1H3,(H,10,13);2*1H
InChIKey
HJQVCDCCKSKMNH-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)NCCn1ncc(c1)N.Cl.Cl
Isomeric Smiles
n1n(cc(c1)N)CCNC(=O)COC.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.929448
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5801169
LogD (pH = 7.4)
-1.5800793
Log P
-1.5800788
Molar Refractivity
63.5088
Polarizability
19.451778
Polar Surface Area
82.17
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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