Molecule

ID:34514

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃O
Molecular Mass
191.65856
Exact Mass
191.08253976
Charge
0
InChI
InChI=1S/C7H13N3O.ClH/c1-7(2,3)6-9-5(4-8)11-10-6;/h4,8H2,1-3H3;1H
InChIKey
SVGZQFPLGHIYPR-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(n1)C(C)(C)C.Cl
Isomeric Smiles
o1nc(nc1CN)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.23780307
LogD (pH = 7.4)
1.1972833
Log P
1.3796921
Molar Refractivity
42.8013
Polarizability
16.108854
Polar Surface Area
64.94
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
References
Bioactivity
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