Molecule

ID:24901

General Information
Structure
Molecular Formula
C₁₂H₁₄FN₃
Molecular Mass
219.2580632
Exact Mass
219.11717568
Charge
0
InChI
InChI=1S/C12H14FN3/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10/h3-6H,7,14H2,1-2H3
InChIKey
DHAGCICJYVETKE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1nc(c(c1C)N)C
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7693698
LogD (pH = 7.4)
1.7702749
Log P
1.7702864
Molar Refractivity
74.232
Polarizability
22.811806
Polar Surface Area
43.84
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
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Molecule Details
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References
Bioactivity
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