Molecule

ID:101353

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅Cl₂N₃O₂
Molecular Mass
268.1403
Exact Mass
267.0541321
Charge
0
InChI
InChI=1S/C9H13N3O2.2ClH/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;;/h6,10H,2-5H2,1H3;2*1H
InChIKey
UVYMXIAFTVXRIT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)CNCC2.Cl.Cl
Isomeric Smiles
c1(nc2n(c1)CCNC2)C(=O)OCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2659475
LogD (pH = 7.4)
-0.0202246
Log P
0.08457744
Molar Refractivity
50.9174
Polarizability
19.691925
Polar Surface Area
56.15
Rotatable Bonds
3
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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