Molecule

ID:55822

General Information
Structure
Molecular Formula
C₁₅H₁₅ClFN₅O
Molecular Mass
335.7639032
Exact Mass
335.09491603
Charge
0
InChI
InChI=1S/C15H14FN5O.ClH/c1-21-12-6-7-17-8-10(12)13(19-21)15-18-14(20-22-15)9-4-2-3-5-11(9)16;/h2-5,17H,6-8H2,1H3;1H
InChIKey
VVIXNJFSDQMQPU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1noc(n1)c1nn(c2c1CNCC2)C.Cl
Isomeric Smiles
C1CNCc2c1n(nc2c1onc(n1)c1c(cccc1)F)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8415473
LogD (pH = 7.4)
0.6567926
Log P
2.3074253
Molar Refractivity
112.4801
Polarizability
30.505766
Polar Surface Area
68.77
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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