2-phenyl-3-(4-phenylphenyl)-5-[(E)-2-(4-phenylphenyl)ethenyl]-3,4-dihydropyrazole

Formula:C35H28N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-phenyl-3-(4-phenylphenyl)-5-[(E)-2-(4-phenylphenyl)ethenyl]-3,4-dihydropyrazole is not a drug-like molecule.

MolName2-phenyl-3-(4-phenylphenyl)-5-[(E)-2-(4-phenylphenyl)ethenyl]-3,4-dihydropyrazole
MolecularFormulaC35H28N2
SmilesC(C1c(cc2)ccc2-c2ccccc2)C(/C=C/c(cc2)ccc2-c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C35H28N2/c1-4-10-28(11-5-1)30-19-16-27(17-20-30)18-25-33-26-35(37(36-33)34-14-8-3-9-15-34)32-23-21-31(22-24-32)29-12-6-2-7-13-29/h1-25,35H,26H2/t35-/m1/s1
InChIKWAARXRCYPUVPJO-PGUFJCEWSA-N
TotalMolweight476.621
Molweight476.621
MonoisotopicMass476.225248
CLogP8.9904
CLogS-8.867
H Acceptors2
TotalSurfaceArea384.83
Relative PSA0.039134
PolarSurfaceArea15.6
Druglikeness2.8399
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.56757
Fragments1
Non HAtoms37
NonCHAtoms2
Electronegative Atoms2
StereoCenters1
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms2
Symmetricatoms10
StereoConracemate

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