Molecule

ID:60369

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃O₂
Molecular Mass
237.2302832
Exact Mass
237.09135486
Charge
0
InChI
InChI=1S/C11H12FN3O2/c12-8-1-3-9(4-2-8)15-6-7(5-10(15)16)11(17)14-13/h1-4,7H,5-6,13H2,(H,14,17)
InChIKey
WPTJFEMVIBPOQD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)F
Isomeric Smiles
C1C(=O)N(CC1C(=O)NN)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.774948
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.28129345
LogD (pH = 7.4)
-0.28007156
Log P
-0.2800392
Molar Refractivity
59.5408
Polarizability
22.39418
Polar Surface Area
75.43
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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