Molecule

ID:38150

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃O
Molecular Mass
191.65856
Exact Mass
191.08253976
Charge
0
InChI
InChI=1S/C7H13N3O.ClH/c1-3-4-6-9-7(5-8-2)11-10-6;/h8H,3-5H2,1-2H3;1H
InChIKey
MVCRTJIBYKYAII-UHFFFAOYSA-N
Canonic Smiles
CCCc1noc(n1)CNC.Cl
Isomeric Smiles
o1c(CNC)nc(n1)CCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5229413
LogD (pH = 7.4)
0.89415723
Log P
1.0652565
Molar Refractivity
43.1014
Polarizability
16.109282
Polar Surface Area
50.95
Rotatable Bonds
4
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
References
Bioactivity
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