Molecule

ID:71969

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFN₃
Molecular Mass
215.6551432
Exact Mass
215.06255327
Charge
0
InChI
InChI=1S/C9H11ClFN3/c10-9-12-6-7(11)8(13-9)14-4-2-1-3-5-14/h6H,1-5H2
InChIKey
IQCLACOTWKDRDD-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(nc1N1CCCCC1)Cl
Isomeric Smiles
c1nc(nc(c1F)N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6538448
LogD (pH = 7.4)
2.653855
Log P
2.6538553
Molar Refractivity
55.3214
Polarizability
19.917337
Polar Surface Area
29.02
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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