Molecule

ID:41269

General Information
Structure
Molecular Formula
C₁₅H₁₄ClFN₂O₃
Molecular Mass
324.7346632
Exact Mass
324.06769822
Charge
0
InChI
InChI=1S/C15H14ClFN2O3/c1-19(2)8-7-11-13(15(20)21-3)14(18-22-11)12-9(16)5-4-6-10(12)17/h4-8H,1-3H3/b8-7+
InChIKey
GQJJMEASJGFUAS-BQYQJAHWSA-N
Canonic Smiles
COC(=O)c1c(/C=C/N(C)C)onc1c1c(F)cccc1Cl
Isomeric Smiles
c1(c(c(on1)/C=C/N(C)C)C(=O)OC)c1c(F)cccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4930506
LogD (pH = 7.4)
3.3318026
Log P
3.3658285
Molar Refractivity
82.579
Polarizability
31.63954
Polar Surface Area
55.57
Rotatable Bonds
4
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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