Molecule

ID:55801

General Information
Structure
Molecular Formula
C₁₄H₁₇ClFN₃O
Molecular Mass
297.7556832
Exact Mass
297.10441808
Charge
0
InChI
InChI=1S/C14H16FN3O.ClH/c1-18-14-6-7-16-8-12(14)13(17-18)9-19-11-4-2-10(15)3-5-11;/h2-5,16H,6-9H2,1H3;1H
InChIKey
YOLOJSXSCBQUNV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCc1nn(c2c1CNCC2)C.Cl
Isomeric Smiles
C1CNCc2c1n(nc2COc1ccc(cc1)F)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3952923
LogD (pH = 7.4)
0.2388958
Log P
1.4816185
Molar Refractivity
82.2769
Polarizability
26.914934
Polar Surface Area
39.08
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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