[(E)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate

Formula:C27H23N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate is not a drug-like molecule.

MolName[(E)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate
MolecularFormulaC27H23N2O3Cl
SmilesO=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nccn1CCCOc(cccc1)c1Cl
InChIInChI=1S/C27H23ClN2O3/c28-23-14-7-8-15-24(23)32-19-9-17-30-18-16-29-26(30)20-25(21-10-3-1-4-11-21)33-27(31)22-12-5-2-6-13-22/h1-8,10-16,18,20H,9,17,19H2
InChIKOYDDOXFCHUMJPN-UHFFFAOYSA-N
TotalMolweight458.944
Molweight458.944
MonoisotopicMass458.13972
CLogP5.6075
CLogS-4.588
H Acceptors5
TotalSurfaceArea359.66
Relative PSA0.14147
PolarSurfaceArea53.35
Druglikeness2.0767
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.54545
Fragments1
Non HAtoms33
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms4
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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