[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate

Formula:C23H14NO4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.

MolName[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC23H14NO4Cl
SmilesO=C(c(cc1)ccc1Cl)Oc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1
InChIInChI=1S/C23H14ClNO4/c24-18-12-10-16(11-13-18)22(26)28-20-9-5-4-8-17(20)14-19-23(27)29-21(25-19)15-6-2-1-3-7-15/h1-14H
InChIKNQAPUXVLVBZPGY-UHFFFAOYSA-N
TotalMolweight403.82
Molweight403.82
MonoisotopicMass403.061136
CLogP4.6283
CLogS-6.125
H Acceptors5
TotalSurfaceArea297.88
Relative PSA0.19333
PolarSurfaceArea64.96
Druglikeness0.9311
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58621
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
StereoCon

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