Molecule

ID:63544

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClFN₅
Molecular Mass
305.7379232
Exact Mass
305.08435134
Charge
0
InChI
InChI=1S/C14H12FN5.ClH/c15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;/h1-7H,8H2,(H3,16,17);1H
InChIKey
DQASIYVADJWVLY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1Cn1nc(c2c1nccc2)C(=N)N.Cl
Isomeric Smiles
Cl.Fc1c(cccc1)Cn1nc(c2c1nccc2)C(=N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.41973042
LogD (pH = 7.4)
1.0401639
Log P
1.7432672
Molar Refractivity
95.2143
Polarizability
27.794973
Polar Surface Area
80.58
Rotatable Bonds
3
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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