6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

Formula:C24H14NO2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is not a drug-like molecule.

MolName6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormulaC24H14NO2Cl2F
SmilesO=C(/C=C/c(c(F)ccc1)c1Cl)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O
InChIInChI=1S/C24H14Cl2FNO2/c25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27/h1-13H,(H,28,30)
InChIKVFQDPWUHNVOCHI-UHFFFAOYSA-N
TotalMolweight438.284
Molweight438.284
MonoisotopicMass437.038561
CLogP5.3726
CLogS-6.989
H Acceptors3
H Donors1
TotalSurfaceArea312.85
Relative PSA0.11999
PolarSurfaceArea46.17
Druglikeness2.3791
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.43333
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Symmetricatoms2
Amides1
StereoCon

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