Molecule

ID:71966

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄Cl₂N₄O₂
Molecular Mass
257.11766
Exact Mass
256.04938107
Charge
0
InChI
InChI=1S/C7H12N4O2.2ClH/c12-7-10-9-6(13-7)5-11-3-1-8-2-4-11;;/h8H,1-5H2,(H,10,12);2*1H
InChIKey
IHSGAMPXVCWGLC-UHFFFAOYSA-N
Canonic Smiles
Oc1nnc(o1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
C1NCCN(C1)Cc1oc(nn1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
2.8867435
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.6750531
LogD (pH = 7.4)
-1.679988
Log P
-1.6744977
Molar Refractivity
47.0629
Polarizability
17.66376
Polar Surface Area
74.42
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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