[(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea

Formula:C14H14N4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea is a drug-like molecule.

MolName[(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
MolecularFormulaC14H14N4S
SmilesNC(N/N=C(/Cc1ccccc1)\c1ccncc1)=S
InChIInChI=1S/C14H14N4S/c15-14(19)18-17-13(12-6-8-16-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,18,19)
InChIKCVQASXWBCAHHDA-UHFFFAOYSA-N
TotalMolweight270.359
Molweight270.359
MonoisotopicMass270.093916
CLogP1.9109
CLogS-3.598
H Acceptors4
H Donors2
TotalSurfaceArea221.2
Relative PSA0.34905
PolarSurfaceArea95.39
Druglikeness1.4899
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.52632
Fragments1
Non HAtoms19
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens1
StereoCon

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