[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]thiourea

Formula:C22H17N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:high [(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]thiourea is a drug-like molecule.

MolName[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]thiourea
MolecularFormulaC22H17N3OS
SmilesNC(N/N=C(\C(C1(c2ccccc2)c2ccccc2)=O)/c2c1cccc2)=S
InChIInChI=1S/C22H17N3OS/c23-21(27)25-24-19-17-13-7-8-14-18(17)22(20(19)26,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H3,23,25,27)
InChIKMNFHQBGYSFHEHJ-UHFFFAOYSA-N
TotalMolweight371.463
Molweight371.463
MonoisotopicMass371.109232
CLogP3.7355
CLogS-5.412
H Acceptors4
H Donors2
TotalSurfaceArea283.1
Relative PSA0.28004
PolarSurfaceArea99.57
Druglikeness2.4248
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.40741
Fragments1
Non HAtoms27
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms8
StereoCon

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