Molecule

ID:55153

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇Cl₂N₃O
Molecular Mass
230.13538
Exact Mass
229.07486754
Charge
0
InChI
InChI=1S/C7H15N3O.2ClH/c1-8-7(11)6-10-4-2-9-3-5-10;;/h9H,2-6H2,1H3,(H,8,11);2*1H
InChIKey
PCAYBFINZCOBFV-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CN1CCNCC1.Cl.Cl
Isomeric Smiles
C1N(CCNC1)CC(=O)NC.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.051573
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.483029
LogD (pH = 7.4)
-2.9803038
Log P
-1.4510422
Molar Refractivity
43.547
Polarizability
17.160337
Polar Surface Area
44.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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