[(Z)-2-(1-benzylbenzimidazol-2-yl)-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate

Formula:C29H20N2O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-2-(1-benzylbenzimidazol-2-yl)-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate is not a drug-like molecule.

MolName[(Z)-2-(1-benzylbenzimidazol-2-yl)-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate
MolecularFormulaC29H20N2O2F2
SmilesO=C(c(cccc1)c1F)O/C(/c(cccc1)c1F)=C\c1nc(cccc2)c2n1Cc1ccccc1
InChIInChI=1S/C29H20F2N2O2/c30-23-14-6-4-12-21(23)27(35-29(34)22-13-5-7-15-24(22)31)18-28-32-25-16-8-9-17-26(25)33(28)19-20-10-2-1-3-11-20/h1-18H,19H2
InChIKMHFWXNADDYUWFO-UHFFFAOYSA-N
TotalMolweight466.486
Molweight466.486
MonoisotopicMass466.149284
CLogP6.2709
CLogS-5.441
H Acceptors4
TotalSurfaceArea354.02
Relative PSA0.11547
PolarSurfaceArea44.12
Druglikeness0.68551
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms35
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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