Molecule

ID:30527

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFN₃
Molecular Mass
227.6658432
Exact Mass
227.06255327
Charge
0
InChI
InChI=1S/C10H10FN3.ClH/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13-14;/h1-5,7H,6,12H2;1H
InChIKey
MKGUQJOVIHUSIF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1ncc(c1)N.Cl
Isomeric Smiles
n1(ncc(c1)N)Cc1ccc(F)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4393195
LogD (pH = 7.4)
1.4393545
Log P
1.439355
Molar Refractivity
64.4908
Polarizability
19.296848
Polar Surface Area
43.84
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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