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[(E)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenyl-sulfanylidene-lambda5-phosphane

Formula:C38H30BPS Mutagenic:low Tumorigenic:high Reproductive Effective:low [(E)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenyl-sulfanylidene-lambda5-phosphane is not a drug-like molecule.
MolName[(E)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenyl-sulfanylidene-lambda5-phosphane
MolecularFormulaC38H30BPS
SmilesS=P(/C(/c1ccccc1)=C(\B(c1ccccc1)c1ccccc1)/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H30BPS/c41-40(35-27-15-5-16-28-35,36-29-17-6-18-30-36)38(32-21-9-2-10-22-32)37(31-19-7-1-8-20-31)39(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H
InChIKZTACXTBLFYJFNB-UHFFFAOYSA-N
TotalMolweight560.507
Molweight560.507
MonoisotopicMass560.189887
CLogP9.649
CLogS-8.665
TotalSurfaceArea448.31
Relative PSA0.071335
PolarSurfaceArea41.9
Druglikeness-21.436
Mutageniclow
Tumorigenichigh
Reproductive Effectivelow
Irritantlow
Nasty Functionsunwanted atom
Shape Index0.29268
Fragments1
Non HAtoms41
NonCHAtoms3
Electronegative Atoms2
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms36
Sp3Atoms2
Symmetricatoms20
StereoCon

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