Molecule

ID:54875

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClFN₂O₂
Molecular Mass
292.6928032
Exact Mass
292.04148347
Charge
0
InChI
InChI=1S/C14H10ClFN2O2/c1-20-14(19)9-4-5-12(11(16)7-9)18-8-10-3-2-6-17-13(10)15/h2-8H,1H3/b18-8+
InChIKey
DSMBOIXJZDVGKD-QGMBQPNBSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)F)/N=C/c1cccnc1Cl
Isomeric Smiles
c1(c(nccc1)Cl)/C=N/c1c(cc(C(=O)OC)cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6002285
LogD (pH = 7.4)
3.600235
Log P
3.600235
Molar Refractivity
77.3385
Polarizability
27.66172
Polar Surface Area
51.55
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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