1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-phenylthiourea

Formula:C13H13N5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-phenylthiourea is a drug-like molecule.

MolName	1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-phenylthiourea
MolecularFormula	C13H13N5S
Smiles	N/C(/c1ncccc1)=N/NC(Nc1ccccc1)=S
InChI	InChI=1S/C13H13N5S/c14-12(11-8-4-5-9-15-11)17-18-13(19)16-10-6-2-1-3-7-10/h1-9H,(H2,14,17)(H2,16,18,19)
InChIK	AYSZFCRARGCWCX-UHFFFAOYSA-N
TotalMolweight	271.347
Molweight	271.347
MonoisotopicMass	271.089165
CLogP	1.7993
CLogS	-3.315
H Acceptors	5
H Donors	3
TotalSurfaceArea	218.9
Relative PSA	0.40507
PolarSurfaceArea	107.42
Druglikeness	1.0904
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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